$title
alpha-Glucose
$operating system unix
$symmetry c1
$redundant    file=coord
$coord    file=coord
$user-defined bonds    file=coord
$atoms
c  1-3,10,13,15                                                                \
   basis =c 3-21g hondo
o  4,7,9,11,16,19                                                              \
   basis =o 3-21g hondo
h  5-6,8,12,14,17-18,20-24                                                     \
   basis =h 3-21g hondo
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=8850
   natoms=24
   nshell=84
   nbf(CAO)=132
   nbf(AO)=132
   dim(trafo[SAO<-->AO/CAO])=132
   rhfshells=1
$scfmo    file=mos
$closed shells
 a       1-48                                   ( 2 )
$scfiterlimit       30
$scfconv        7
$thize     0.10000000E-04
$thime        5
$scfdamp   start=0.500  step=0.050  min=0.100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$optimize
   internal   on
   redundant  on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=33  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit off
   diag=default
$energy    file=energy
$grad    file=gradient
$forceapprox    file=forceapprox
$lock off
$last step     force
$last SCF energy change = -.83479165E-06
$maximum norm of cartesian gradient = 0.49949058E-03
$maximum norm of internal gradient = 0.34517127E-03
$orbital_max_rnorm 0.17669727373131E-04
$maxcor 500
$dipole
  x     0.60010931560956    y    -0.05375798215498    z    -0.03181229927210
   | dipole | =    1.5335783488  debye
$hessian (projected)
 1  1   0.6660519054   0.0487146916   0.1143620592  -0.1899652754   0.0286919833
 1  2   0.0095706798  -0.0425841461   0.0182574601   0.0105777036   0.0051840965
 1  3  -0.0053215941   0.0013633194  -0.0014398575  -0.0007816142  -0.0021150938
 1  4   0.0021458027   0.0001192634   0.0000261855  -0.0014903153  -0.0039818623
 1  5  -0.0040326430  -0.2468213051  -0.0461735340  -0.1311193706  -0.0911157123
 1  6  -0.0068209575   0.0311077547  -0.0029079084  -0.0053540910  -0.0011365525
 1  7   0.0017383480   0.0025600286   0.0009483856  -0.0001352664  -0.0000357598
 1  8   0.0004318131  -0.0080287817  -0.0379682446  -0.0001355477   0.0019817182
 1  9   0.0014394176   0.0008762002  -0.0041655234  -0.0021078900  -0.0037582734
 1 10  -0.0948963544   0.0105761891  -0.0201088442   0.0000948999   0.0001977069
 1 11  -0.0000414604   0.0005714523  -0.0012428317   0.0001559640  -0.0002263318
 1 12   0.0017519813   0.0000165358   0.0003214448  -0.0011918806   0.0009916110
 1 13   0.0000612789  -0.0038678011   0.0010420781  -0.0010680032   0.0008901596
 1 14   0.0006754328   0.0002018487  -0.0001290599   0.0001169123   0.0064919856
 1 15   0.0017782393  -0.0098148495
 2  1   0.0487146916   0.5869144960   0.0296679787   0.0254889925  -0.0797605823
 2  2  -0.0168695417  -0.0099548888   0.0138814928   0.0094708261   0.0377014405
 2  3  -0.0356089394  -0.0053413594  -0.0079167549   0.0033903064   0.0036111940
 2  4   0.0014771286  -0.0001048460   0.0003712769  -0.0077540543  -0.0049675912
 2  5  -0.0032573572  -0.0547181164  -0.0735435403  -0.0439531388   0.0075903872
 2  6  -0.1089910015  -0.0027151791  -0.0049855884   0.0070585901   0.0060408377
 2  7   0.0069919737  -0.0026848714  -0.0003861054  -0.0003256940  -0.0004717379
 2  8  -0.0002009077  -0.0212596047  -0.0393666280  -0.0109261188   0.0052132210
 2  9   0.0044798446   0.0038794372   0.0008649532  -0.0002076641   0.0011237239
 2 10  -0.0175530804  -0.2471634418  -0.0266042548  -0.0000902262  -0.0002034299
 2 11  -0.0000203663   0.0007339231   0.0016140098  -0.0000931927   0.0005823904
 2 12   0.0030667453  -0.0022326951   0.0003547850  -0.0030599550   0.0026135153
 2 13  -0.0024378717  -0.0076916732   0.0018488881  -0.0018788129   0.0020767923
 2 14  -0.0001757057  -0.0009748683  -0.0003419701   0.0002327954  -0.0058643260
 2 15  -0.0183144053   0.0539154494
 3  1   0.1143620592   0.0296679787   0.6179067781   0.0232867023  -0.0257003746
 3  2  -0.0988848907  -0.0180986483   0.0137097492   0.0143818578  -0.0049198028
 3  3   0.0031060970  -0.0077320063   0.0360940984  -0.0147868862  -0.0096630300
 3  4  -0.0023297212   0.0004031549  -0.0036400725  -0.0068152284  -0.0019499159
 3  5  -0.0045391308  -0.1326942488  -0.0406599410  -0.1565424912   0.0205327261
 3  6   0.0557258705  -0.2481285674   0.0019849343   0.0010327229   0.0002787361
 3  7  -0.0003620604   0.0001002740  -0.0011049123   0.0006826594   0.0004138083
 3  8  -0.0004699073  -0.0021623233  -0.0295418414   0.0072279375  -0.0013187398
 3  9  -0.0021867370  -0.0038705233  -0.0050606722  -0.0030703183  -0.0046988692
 3 10  -0.0212993907   0.0089915595  -0.0888524377   0.0001564964   0.0002298849
 3 11  -0.0000346293   0.0001554828  -0.0016933235   0.0004924876   0.0006404718
 3 12   0.0012992553  -0.0009723283   0.0000709503   0.0000282496   0.0013402353
 3 13   0.0004828224   0.0029167617  -0.0009086222  -0.0017007865   0.0005468772
 3 14   0.0007533702   0.0001503017   0.0000589817   0.0000860619  -0.0018380829
 3 15   0.0013581124  -0.0124250463
 4  1  -0.1899652754   0.0254889925   0.0232867023   0.5751721464  -0.0134051748
 4  2  -0.0332522310  -0.1398826782  -0.0162703032  -0.0453707477  -0.1053334407
 4  3  -0.0373524810   0.0155715352  -0.0735551243  -0.0029786602   0.0420052333
 4  4   0.0020506318  -0.0007453294  -0.0001569682  -0.0511113023  -0.0130360895
 4  5  -0.0202165091  -0.0270001332   0.0145852172   0.0126989124  -0.0062254131
 4  6   0.0019059376   0.0108578192   0.0019881540  -0.0075151490   0.0016861454
 4  7   0.0024451852   0.0045714632   0.0001971015   0.0001600814   0.0005320883
 4  8  -0.0001084471   0.0072861462   0.0011336959   0.0035060437  -0.0007283781
 4  9  -0.0002116204  -0.0004481712  -0.0009046277   0.0000440348  -0.0002674442
 4 10   0.0066803094  -0.0098294120  -0.0064677423  -0.0001082913   0.0003638567
 4 11  -0.0000249098  -0.0000617467  -0.0005236431   0.0000735639  -0.0004276159
 4 12   0.0001341814   0.0000009636   0.0001890460   0.0004237689  -0.0003666880
 4 13   0.0051528956   0.0474923993  -0.0091908375  -0.0059138466   0.0048865148
 4 14   0.0027581354   0.0007668968   0.0008001857   0.0004348943  -0.0006736192
 4 15  -0.0004944736   0.0027936459
 5  1   0.0286919833  -0.0797605823  -0.0257003746  -0.0134051748   0.5692011462
 5  2  -0.0254958253  -0.0358132832  -0.0993144477  -0.0283206855   0.0216238677
 5  3  -0.2410855863   0.0295659519  -0.0038947055  -0.0650186207   0.0403456091
 5  4   0.0078291824   0.0034773778   0.0075544887   0.0206484583   0.0021188641
 5  5   0.0085760213  -0.0107391271   0.0074067696   0.0022316557  -0.0074752631
 5  6   0.0000354371   0.0120590604  -0.0335574939  -0.0170050300  -0.0237025482
 5  7  -0.0000103073  -0.0067988480   0.0016391691  -0.0002519005   0.0006948580
 5  8   0.0003970111   0.0052792338   0.0005487197  -0.0011738284  -0.0004808561
 5  9  -0.0002713754  -0.0002150516  -0.0005702172  -0.0003579976   0.0000052887
 5 10   0.0320146355  -0.0438551616  -0.0085938290  -0.0002125819   0.0004846992
 5 11   0.0000147662  -0.0000343938   0.0000421950   0.0001244676  -0.0002370010
 5 12   0.0005942608   0.0000568420   0.0004165433  -0.0002460587  -0.0001720887
 5 13  -0.0087216244  -0.0303511123   0.0090928460   0.0041448433  -0.0027656818
 5 14  -0.0010956308  -0.0008704248  -0.0005727366  -0.0015836901  -0.0043743932
 5 15   0.0027989116   0.0043903744
 6  1   0.0095706798  -0.0168695417  -0.0988848907  -0.0332522310  -0.0254958253
 6  2   0.7027313251  -0.0563634074  -0.0228843605  -0.1434095039   0.0082815945
 6  3   0.0364243367  -0.0822625362   0.0424024419   0.0386941255  -0.3375559407
 6  4  -0.0321543011  -0.0170105136  -0.0226999250   0.0181525155   0.0062763232
 6  5   0.0081803727  -0.0209625032   0.0092704481   0.0100819870   0.0421087801
 6  6  -0.0087305756  -0.0423370691   0.0056031421  -0.0015193677   0.0025178136
 6  7   0.0019809615   0.0028454629   0.0009593628   0.0009458079   0.0020127640
 6  8  -0.0002023781  -0.0003116548  -0.0016907848  -0.0029718879   0.0002802927
 6  9  -0.000053 hondo
o  4,7,9,11,16,19                                                              \
   basis =o 3-21g hondo
h  5-6,8,12,14,17-18,20-24                                                     \
   basis =h 3-21g hondo
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=8850
   natoms=24
   nshell=84
   nbf(CAO)=132
   nbf(AO)=132
   dim(trafo[SAO<-->AO/CAO])=132
   rhfshells=1
$scfmo    file=mos
$closed shells
 a       1-48                                   ( 2 )
$scfiterlimit       30
$scfconv        7
$thize     0.10000000E-04
$thime        5
$scfdamp   start=0.500  step=0.050  min=0.100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$optimize
   internal   on
   redundant  on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=33  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit off
   diag=default
$energy    file=energy
$grad    file=gradient
$forceapprox    file=forceapprox
$lock off
$last step     force
$last SCF energy change = -.83479165E-06
$maximum norm of cartesian gradient = 0.49949058E-03
$maximum norm of internal gradient = 0.34517127E-03
$orbital_max_rnorm 0.17669727373131E-04
$maxcor 500
$dipole
  x     0.60010931560956    y    -0.05375798215498    z    -0.03181229927210
   | dipole | =    1.5335783488  debye
$hessian (projected)
 1  1   0.6660519054   0.0487146916   0.1143620592  -0.1899652754   0.0286919833
 1  2   0.0095706798  -0.0425841461   0.0182574601   0.0105777036   0.0051840965
 1  3  -0.0053215941   0.0013633194  -0.0014398575  -0.0007816142  -0.0021150938
 1  4   0.0021458027   0.0001192634   0.0000261855  -0.0014903153  -0.0039818623
 1  5  -0.0040326430  -0.2468213051  -0.0461735340  -0.1311193706  -0.0911157123
 1  6  -0.0068209575   0.0311077547  -0.0029079084  -0.0053540910  -0.0011365525
 1  7   0.0017383480   0.0025600286   0.0009483856  -0.0001352664  -0.0000357598
 1  8   0.0004318131  -0.0080287817  -0.0379682446  -0.0001355477   0.0019817182
 1  9   0.0014394176   0.0008762002  -0.0041655234  -0.0021078900  -0.0037582734
 1 10  -0.0948963544   0.0105761891  -0.0201088442   0.0000948999   0.0001977069
 1 11  -0.0000414604   0.0005714523  -0.0012428317   0.0001559640  -0.0002263318
 1 12   0.0017519813   0.0000165358   0.0003214448  -0.0011918806   0.0009916110
 1 13   0.0000612789  -0.0038678011   0.0010420781  -0.0010680032   0.0008901596
 1 14   0.0006754328   0.0002018487  -0.0001290599   0.0001169123   0.0064919856
 1 15   0.0017782393  -0.0098148495
 2  1   0.0487146916   0.5869144960   0.0296679787   0.0254889925  -0.0797605823
 2  2  -0.0168695417  -0.0099548888   0.0138814928   0.0094708261   0.0377014405
 2  3  -0.0356089394  -0.0053413594  -0.0079167549   0.0033903064   0.0036111940
 2  4   0.0014771286  -0.0001048460   0.0003712769  -0.0077540543  -0.0049675912
 2  5  -0.0032573572  -0.0547181164  -0.0735435403  -0.0439531388   0.0075903872
 2  6  -0.1089910015  -0.0027151791  -0.0049855884   0.0070585901   0.0060408377
 2  7   0.0069919737  -0.0026848714  -0.0003861054  -0.0003256940  -0.0004717379
 2  8  -0.0002009077  -0.0212596047  -0.0393666280  -0.0109261188   0.0052132210
 2  9   0.0044798446   0.0038794372   0.0008649532  -0.0002076641   0.0011237239
 2 10  -0.0175530804  -0.2471634418  -0.0266042548  -0.0000902262  -0.0002034299
 2 11  -0.0000203663   0.0007339231   0.0016140098  -0.0000931927   0.0005823904
 2 12   0.0030667453  -0.0022326951   0.0003547850  -0.0030599550   0.0026135153
 2 13  -0.0024378717  -0.0076916732   0.0018488881  -0.0018788129   0.0020767923
 2 14  -0.0001757057  -0.0009748683  -0.0003419701   0.0002327954  -0.0058643260
 2 15  -0.0183144053   0.0539154494
 3  1   0.1143620592   0.0296679787   0.6179067781   0.0232867023  -0.0257003746
 3  2  -0.0988848907  -0.0180986483   0.0137097492   0.0143818578  -0.0049198028
 3  3   0.0031060970  -0.0077320063   0.0360940984  -0.0147868862  -0.0096630300
 3  4  -0.0023297212   0.0004031549  -0.0036400725  -0.0068152284  -0.0019499159
 3  5  -0.0045391308  -0.1326942488  -0.0406599410  -0.1565424912   0.0205327261
 3  6   0.0557258705  -0.2481285674   0.0019849343   0.0010327229   0.0002787361
 3  7  -0.0003620604   0.0001002740  -0.0011049123   0.0006826594   0.0004138083
 3  8  -0.0004699073  -0.0021623233  -0.0295418414   0.0072279375  -0.0013187398
 3  9  -0.0021867370  -0.0038705233  -0.0050606722  -0.0030703183  -0.0046988692
 3 10  -0.0212993907   0.0089915595  -0.0888524377   0.0001564964   0.0002298849
 3 11  -0.0000346293   0.0001554828  -0.0016933235   0.0004924876   0.0006404718
 3 12   0.0012992553  -0.0009723283   0.0000709503   0.0000282496   0.0013402353
 3 13   0.0004828224   0.0029167617  -0.0009086222  -0.0017007865   0.0005468772
 3 14   0.0007533702   0.0001503017   0.0000589817   0.0000860619  -0.0018380829
 3 15   0.0013581124  -0.0124250463
 4  1  -0.1899652754   0.0254889925   0.0232867023   0.5751721464  -0.0134051748
 4  2  -0.0332522310  -0.1398826782  -0.0162703032  -0.0453707477  -0.1053334407
 4  3  -0.0373524810   0.0155715352  -0.0735551243  -0.0029786602   0.0420052333
 4  4   0.0020506318  -0.0007453294  -0.0001569682  -0.0511113023  -0.0130360895
 4  5  -0.0202165091  -0.0270001332   0.0145852172   0.0126989124  -0.0062254131
 4  6   0.0019059376   0.0108578192   0.0019881540  -0.0075151490   0.0016861454
 4  7   0.0024451852   0.0045714632   0.0001971015   0.0001600814   0.0005320883
 4  8  -0.0001084471   0.0072861462   0.0011336959   0.0035060437  -0.0007283781
 4  9  -0.0002116204  -0.0004481712  -0.0009046277   0.0000440348  -0.0002674442
 4 10   0.0066803094  -0.0098294120  -0.0064677423  -0.0001082913   0.0003638567
 4 11  -0.0000249098  -0.0000617467  -0.0005236431   0.0000735639  -0.0004276159
 4 12   0.0001341814   0.0000009636   0.0001890460   0.0004237689  -0.0003666880
 4 13   0.0051528956   0.0474923993  -0.0091908375  -0.0059138466   0.0048865148
 4 14   0.0027581354   0.0007668968   0.0008001857   0.0004348943  -0.0006736192
 4 15  -0.0004944736   0.0027936459
 5  1   0.0286919833  -0.0797605823  -0.0257003746  -0.0134051748   0.5692011462
 5  2  -0.0254958253  -0.0358132832  -0.0993144477  -0.0283206855   0.0216238677
 5  3  -0.2410855863   0.0295659519  -0.0038947055  -0.0650186207   0.0403456091
 5  4   0.0078291824   0.0034773778   0.0075544887   0.0206484583   0.0021188641
 5  5   0.0085760213  -0.0107391271   0.0074067696   0.0022316557  -0.0074752631
 5  6   0.0000354371   0.0120590604  -0.0335574939  -0.0170050300  -0.0237025482
 5  7  -0.0000103073  -0.0067988480   0.0016391691  -0.0002519005   0.0006948580
 5  8   0.0003970111   0.0052792338   0.0005487197  -0.0011738284  -0.0004808561
 5  9  -0.0002713754  -0.0002150516  -0.0005702172  -0.0003579976   0.0000052887
 5 10   0.0320146355  -0.0438551616  -0.0085938290  -0.0002125819   0.0004846992
 5 11   0.0000147662  -0.0000343938   0.0000421950   0.0001244676  -0.0002370010
 5 12   0.0005942608   0.0000568420   0.0004165433  -0.0002460587  -0.0001720887
 5 13  -0.0087216244  -0.0303511123   0.0090928460   0.0041448433  -0.0027656818
 5 14  -0.0010956308  -0.0008704248  -0.0005727366  -0.0015836901  -0.0043743932
 5 15   0.0027989116   0.0043903744
 6  1   0.0095706798  -0.0168695417  -0.0988848907  -0.0332522310  -0.0254958253
 6  2   0.7027313251  -0.0563634074  -0.0228843605  -0.1434095039   0.0082815945
 6  3   0.0364243367  -0.0822625362   0.0424024419   0.0386941255  -0.3375559407
 6  4  -0.0321543011  -0.0170105136  -0.0226999250   0.0181525155   0.0062763232
 6  5   0.0081803727  -0.0209625032   0.0092704481   0.0100819870   0.0421087801
 6  6  -0.0087305756  -0.0423370691   0.0056031421  -0.0015193677   0.0025178136
 6  7   0.0019809615   0.0028454629   0.0009593628   0.0009458079   0.0020127640
 6  8  -0.0002023781  -0.0003116548  -0.0016907848  -0.0029718879   0.0002802927
 6  9  -0.000053 hondo
o  4,7,9,11,16,19                                                              \
   basis =o 3-21g hondo
h  5-6,8,12,14,17-18,20-24                                                     \
   basis =h 3-21g hondo
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=8850
   natoms=24
   nshell=84
   nbf(CAO)=132
   nbf(AO)=132
   dim(trafo[SAO<-->AO/CAO])=132
   rhfshells=1
$scfmo    file=mos
$closed shells
 a       1-48                                   ( 2 )
$scfiterlimit       30
$scfconv        7
$thize     0.10000000E-04
$thime        5
$scfdamp   start=0.500  step=0.050  min=0.100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$optimize
   internal   on
   redundant  on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=33  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit off
   diag=default
$energy    file=energy
$grad    file=gradient
$forceapprox    file=forceapprox
$lock off
$last step     force
$last SCF energy change = -.83479165E-06
$maximum norm of cartesian gradient = 0.49949058E-03
$maximum norm of internal gradient = 0.34517127E-03
$orbital_max_rnorm 0.17669727373131E-04
$maxcor 500
$dipole
  x     0.60010931560956    y    -0.05375798215498    z    -0.03181229927210
   | dipole | =    1.5335783488  debye
$hessian (projected)
 1  1   0.6660519054   0.0487146916   0.1143620592  -0.1899652754   0.0286919833
 1  2   0.0095706798  -0.0425841461   0.0182574601   0.0105777036   0.0051840965
 1  3  -0.0053215941   0.0013633194  -0.0014398575  -0.0007816142  -0.0021150938
 1  4   0.0021458027   0.0001192634   0.0000261855  -0.0014903153  -0.0039818623
 1  5  -0.0040326430  -0.2468213051  -0.0461735340  -0.1311193706  -0.0911157123
 1  6  -0.0068209575   0.0311077547  -0.0029079084  -0.0053540910  -0.0011365525
 1  7   0.0017383480   0.0025600286   0.0009483856  -0.0001352664  -0.0000357598
 1  8   0.0004318131  -0.0080287817  -0.0379682446  -0.0001355477   0.0019817182
 1  9   0.0014394176   0.0008762002  -0.0041655234  -0.0021078900  -0.0037582734
 1 10  -0.0948963544   0.0105761891  -0.0201088442   0.0000948999   0.0001977069
 1 11  -0.0000414604   0.0005714523  -0.0012428317   0.0001559640  -0.0002263318
 1 12   0.0017519813   0.0000165358   0.0003214448  -0.0011918806   0.0009916110
 1 13   0.0000612789  -0.0038678011   0.0010420781  -0.0010680032   0.0008901596
 1 14   0.0006754328   0.0002018487  -0.0001290599   0.0001169123   0.0064919856
 1 15   0.0017782393  -0.0098148495
 2  1   0.0487146916   0.5869144960   0.0296679787   0.0254889925  -0.0797605823
 2  2  -0.0168695417  -0.0099548888   0.0138814928   0.0094708261   0.0377014405
 2  3  -0.0356089394  -0.0053413594  -0.0079167549   0.0033903064   0.0036111940
 2  4   0.0014771286  -0.0001048460   0.0003712769  -0.0077540543  -0.0049675912
 2  5  -0.0032573572  -0.0547181164  -0.0735435403  -0.0439531388   0.0075903872
 2  6  -0.1089910015  -0.0027151791  -0.0049855884   0.0070585901   0.0060408377
 2  7   0.0069919737  -0.0026848714  -0.0003861054  -0.0003256940  -0.0004717379
 2  8  -0.0002009077  -0.0212596047  -0.0393666280  -0.0109261188   0.0052132210
 2  9   0.0044798446   0.0038794372   0.0008649532  -0.0002076641   0.0011237239
 2 10  -0.0175530804  -0.2471634418  -0.0266042548  -0.0000902262  -0.0002034299
 2 11  -0.0000203663   0.0007339231   0.0016140098  -0.0000931927   0.0005823904
 2 12   0.0030667453  -0.0022326951   0.0003547850  -0.0030599550   0.0026135153
 2 13  -0.0024378717  -0.0076916732   0.0018488881  -0.0018788129   0.0020767923
 2 14  -0.0001757057  -0.0009748683  -0.0003419701   0.0002327954  -0.0058643260
 2 15  -0.0183144053   0.0539154494
 3  1   0.1143620592   0.0296679787   0.6179067781   0.0232867023  -0.0257003746
 3  2  -0.0988848907  -0.0180986483   0.0137097492   0.0143818578  -0.0049198028
 3  3   0.0031060970  -0.0077320063   0.0360940984  -0.0147868862  -0.0096630300
 3  4  -0.0023297212   0.0004031549  -0.0036400725  -0.0068152284  -0.0019499159
 3  5  -0.0045391308  -0.1326942488  -0.0406599410  -0.1565424912   0.0205327261
 3  6   0.0557258705  -0.2481285674   0.0019849343   0.0010327229   0.0002787361
 3  7  -0.0003620604   0.0001002740  -0.0011049123   0.0006826594   0.0004138083
 3  8  -0.0004699073  -0.0021623233  -0.0295418414   0.0072279375  -0.0013187398
 3  9  -0.0021867370  -0.0038705233  -0.0050606722  -0.0030703183  -0.0046988692
 3 10  -0.0212993907   0.0089915595  -0.0888524377   0.0001564964   0.0002298849
 3 11  -0.0000346293   0.0001554828  -0.0016933235   0.0004924876   0.0006404718
 3 12   0.0012992553  -0.0009723283   0.0000709503   0.0000282496   0.0013402353
 3 13   0.0004828224   0.0029167617  -0.0009086222  -0.0017007865   0.0005468772
 3 14   0.0007533702   0.0001503017   0.0000589817   0.0000860619  -0.0018380829
 3 15   0.0013581124  -0.0124250463
 4  1  -0.1899652754   0.0254889925   0.0232867023   0.5751721464  -0.0134051748
 4  2  -0.0332522310  -0.1398826782  -0.0162703032  -0.0453707477  -0.1053334407
 4  3  -0.0373524810   0.0155715352  -0.0735551243  -0.0029786602   0.0420052333
 4  4   0.0020506318  -0.0007453294  -0.0001569682  -0.0511113023  -0.0130360895
 4  5  -0.0202165091  -0.0270001332   0.0145852172   0.0126989124  -0.0062254131
 4  6   0.0019059376   0.0108578192   0.0019881540  -0.0075151490   0.0016861454
 4  7   0.0024451852   0.0045714632   0.0001971015   0.0001600814   0.0005320883
 4  8  -0.0001084471   0.0072861462   0.0011336959   0.0035060437  -0.0007283781
 4  9  -0.0002116204  -0.0004481712  -0.0009046277   0.0000440348  -0.0002674442
 4 10   0.0066803094  -0.0098294120  -0.0064677423  -0.0001082913   0.0003638567
 4 11  -0.0000249098  -0.0000617467  -0.0005236431   0.0000735639  -0.0004276159
 4 12   0.0001341814   0.0000009636   0.0001890460   0.0004237689  -0.0003666880
 4 13   0.0051528956   0.0474923993  -0.0091908375  -0.0059138466   0.0048865148
 4 14   0.0027581354   0.0007668968   0.0008001857   0.0004348943  -0.0006736192
 4 15  -0.0004944736   0.0027936459
 5  1   0.0286919833  -0.0797605823  -0.0257003746  -0.0134051748   0.5692011462
 5  2  -0.0254958253  -0.0358132832  -0.0993144477  -0.0283206855   0.0216238677
 5  3  -0.2410855863   0.0295659519  -0.0038947055  -0.0650186207   0.0403456091
 5  4   0.0078291824   0.0034773778   0.0075544887   0.0206484583   0.0021188641
 5  5   0.0085760213  -0.0107391271   0.0074067696   0.0022316557  -0.0074752631
 5  6   0.0000354371   0.0120590604  -0.0335574939  -0.0170050300  -0.0237025482
 5  7  -0.0000103073  -0.0067988480   0.0016391691  -0.0002519005   0.0006948580
 5  8   0.0003970111   0.0052792338   0.0005487197  -0.0011738284  -0.0004808561
 5  9  -0.0002713754  -0.0002150516  -0.0005702172  -0.0003579976   0.0000052887
 5 10   0.0320146355  -0.0438551616  -0.0085938290  -0.0002125819   0.0004846992
 5 11   0.0000147662  -0.0000343938   0.0000421950   0.0001244676  -0.0002370010
 5 12   0.0005942608   0.0000568420   0.0004165433  -0.0002460587  -0.0001720887
 5 13  -0.0087216244  -0.0303511123   0.0090928460   0.0041448433  -0.0027656818
 5 14  -0.0010956308  -0.0008704248  -0.0005727366  -0.0015836901  -0.0043743932
 5 15   0.0027989116   0.0043903744
 6  1   0.0095706798  -0.0168695417  -0.0988848907  -0.0332522310  -0.0254958253
 6  2   0.7027313251  -0.0563634074  -0.0228843605  -0.1434095039   0.0082815945
 6  3   0.0364243367  -0.0822625362   0.0424024419   0.0386941255  -0.3375559407
 6  4  -0.0321543011  -0.0170105136  -0.0226999250   0.0181525155   0.0062763232
 6  5   0.0081803727  -0.0209625032   0.0092704481   0.0100819870   0.0421087801
 6  6  -0.0087305756  -0.0423370691   0.0056031421  -0.0015193677   0.0025178136
 6  7   0.0019809615   0.0028454629   0.0009593628   0.0009458079   0.0020127640
 6  8  -0.0002023781  -0.0003116548  -0.0016907848  -0.0029718879   0.0002802927
 6  9  -0.000053 hondo
o  4,7,9,11,16,19                                                              \
   basis =o 3-21g hondo
h  5-6,8,12,14,17-18,20-24                                                     \
   basis =h 3-21g hondo
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=8850
   natoms=24
   nshell=84
   nbf(CAO)=132
   nbf(AO)=132
   dim(trafo[SAO<-->AO/CAO])=132
   rhfshells=1
$scfmo    file=mos
$closed shells
 a       1-48                                   ( 2 )
$scfiterlimit       30
$scfconv        7
$thize     0.10000000E-04
$thime        5
$scfdamp   start=0.500  step=0.050  min=0.100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$optimize
   internal   on
   redundant  on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=33  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit off
   diag=default
$energy    file=energy
$grad    file=gradient
$forceapprox    file=forceapprox
$lock off
$last step     force
$last SCF energy change = -.83479165E-06
$maximum norm of cartesian gradient = 0.49949058E-03
$maximum norm of internal gradient = 0.34517127E-03
$orbital_max_rnorm 0.17669727373131E-04
$maxcor 500
$dipole
  x     0.60010931560956    y    -0.05375798215498    z    -0.03181229927210
   | dipole | =    1.5335783488  debye
$hessian (projected)
 1  1   0.6660519054   0.0487146916   0.1143620592  -0.1899652754   0.0286919833
 1  2   0.0095706798  -0.0425841461   0.0182574601   0.0105777036   0.0051840965
 1  3  -0.0053215941   0.0013633194  -0.0014398575  -0.0007816142  -0.0021150938
 1  4   0.0021458027   0.0001192634   0.0000261855  -0.0014903153  -0.0039818623
 1  5  -0.0040326430  -0.2468213051  -0.0461735340  -0.1311193706  -0.0911157123
 1  6  -0.0068209575   0.0311077547  -0.0029079084  -0.0053540910  -0.0011365525
 1  7   0.0017383480   0.0025600286   0.0009483856  -0.0001352664  -0.0000357598
 1  8   0.0004318131  -0.0080287817  -0.0379682446  -0.0001355477   0.0019817182
 1  9   0.0014394176   0.0008762002  -0.0041655234  -0.0021078900  -0.0037582734
 1 10  -0.0948963544   0.0105761891  -0.0201088442   0.0000948999   0.0001977069
 1 11  -0.0000414604   0.0005714523  -0.0012428317   0.0001559640  -0.0002263318
 1 12   0.0017519813   0.0000165358   0.0003214448  -0.0011918806   0.0009916110
 1 13   0.0000612789  -0.0038678011   0.0010420781  -0.0010680032   0.0008901596
 1 14   0.0006754328   0.0002018487  -0.0001290599   0.0001169123   0.0064919856
 1 15   0.0017782393  -0.0098148495
 2  1   0.0487146916   0.5869144960   0.0296679787   0.0254889925  -0.0797605823
 2  2  -0.0168695417  -0.0099548888   0.0138814928   0.0094708261   0.0377014405
 2  3  -0.0356089394  -0.0053413594  -0.0079167549   0.0033903064   0.0036111940
 2  4   0.0014771286  -0.0001048460   0.0003712769  -0.0077540543  -0.0049675912
 2  5  -0.0032573572  -0.0547181164  -0.0735435403  -0.0439531388   0.0075903872
 2  6  -0.1089910015  -0.0027151791  -0.0049855884   0.0070585901   0.0060408377
 2  7   0.0069919737  -0.0026848714  -0.0003861054  -0.0003256940  -0.0004717379
 2  8  -0.0002009077  -0.0212596047  -0.0393666280  -0.0109261188   0.0052132210
 2  9   0.0044798446   0.0038794372   0.0008649532  -0.0002076641   0.0011237239
 2 10  -0.0175530804  -0.2471634418  -0.0266042548  -0.0000902262  -0.0002034299
 2 11  -0.0000203663   0.0007339231   0.0016140098  -0.0000931927   0.0005823904
 2 12   0.0030667453  -0.0022326951   0.0003547850  -0.0030599550   0.0026135153
 2 13  -0.0024378717  -0.0076916732   0.0018488881  -0.0018788129   0.0020767923
 2 14  -0.0001757057  -0.0009748683  -0.0003419701   0.0002327954  -0.0058643260
 2 15  -0.0183144053   0.0539154494
 3  1   0.1143620592   0.0296679787   0.6179067781   0.0232867023  -0.0257003746
 3  2  -0.0988848907  -0.0180986483   0.0137097492   0.0143818578  -0.0049198028
 3  3   0.0031060970  -0.0077320063   0.0360940984  -0.0147868862  -0.0096630300
 3  4  -0.0023297212   0.0004031549  -0.0036400725  -0.0068152284  -0.0019499159
 3  5  -0.0045391308  -0.1326942488  -0.0406599410  -0.1565424912   0.0205327261
 3  6   0.0557258705  -0.2481285674   0.0019849343   0.0010327229   0.0002787361
 3  7  -0.0003620604   0.0001002740  -0.0011049123   0.0006826594   0.0004138083
 3  8  -0.0004699073  -0.0021623233  -0.0295418414   0.0072279375  -0.0013187398
 3  9  -0.0021867370  -0.0038705233  -0.0050606722  -0.0030703183  -0.0046988692
 3 10  -0.0212993907   0.0089915595  -0.0888524377   0.0001564964   0.0002298849
 3 11  -0.0000346293   0.0001554828  -0.0016933235   0.0004924876   0.0006404718
 3 12   0.0012992553  -0.0009723283   0.0000709503   0.0000282496   0.0013402353
 3 13   0.0004828224   0.0029167617  -0.0009086222  -0.0017007865   0.0005468772
 3 14   0.0007533702   0.0001503017   0.0000589817   0.0000860619  -0.0018380829
 3 15   0.0013581124  -0.0124250463
 4  1  -0.1899652754   0.0254889925   0.0232867023   0.5751721464  -0.0134051748
 4  2  -0.0332522310  -0.1398826782  -0.0162703032  -0.0453707477  -0.1053334407
 4  3  -0.0373524810   0.0155715352  -0.0735551243  -0.0029786602   0.0420052333
 4  4   0.0020506318  -0.0007453294  -0.0001569682  -0.0511113023  -0.0130360895
 4  5  -0.0202165091  -0.0270001332   0.0145852172   0.0126989124  -0.0062254131
 4  6   0.0019059376   0.0108578192   0.0019881540  -0.0075151490   0.0016861454
 4  7   0.0024451852   0.0045714632   0.0001971015   0.0001600814   0.0005320883
 4  8  -0.0001084471   0.0072861462   0.0011336959   0.0035060437  -0.0007283781
 4  9  -0.0002116204  -0.0004481712  -0.0009046277   0.0000440348  -0.0002674442
 4 10   0.0066803094  -0.0098294120  -0.0064677423  -0.0001082913   0.0003638567
 4 11  -0.0000249098  -0.0000617467  -0.0005236431   0.0000735639  -0.0004276159
 4 12   0.0001341814   0.0000009636   0.0001890460   0.0004237689  -0.0003666880
 4 13   0.0051528956   0.0474923993  -0.0091908375  -0.0059138466   0.0048865148
 4 14   0.0027581354   0.0007668968   0.0008001857   0.0004348943  -0.0006736192
 4 15  -0.0004944736   0.0027936459
 5  1   0.0286919833  -0.0797605823  -0.0257003746  -0.0134051748   0.5692011462
 5  2  -0.0254958253  -0.0358132832  -0.0993144477  -0.0283206855   0.0216238677
 5  3  -0.2410855863   0.0295659519  -0.0038947055  -0.0650186207   0.0403456091
 5  4   0.0078291824   0.0034773778   0.0075544887   0.0206484583   0.0021188641
 5  5   0.0085760213  -0.0107391271   0.0074067696   0.0022316557  -0.0074752631
 5  6   0.0000354371   0.0120590604  -0.0335574939  -0.0170050300  -0.0237025482
 5  7  -0.0000103073  -0.0067988480   0.0016391691  -0.0002519005   0.0006948580
 5  8   0.0003970111   0.0052792338   0.0005487197  -0.0011738284  -0.0004808561
 5  9  -0.0002713754  -0.0002150516  -0.0005702172  -0.0003579976   0.0000052887
 5 10   0.0320146355  -0.0438551616  -0.0085938290  -0.0002125819   0.0004846992
 5 11   0.0000147662  -0.0000343938   0.0000421950   0.0001244676  -0.0002370010
 5 12   0.0005942608   0.0000568420   0.0004165433  -0.0002460587  -0.0001720887
 5 13  -0.0087216244  -0.0303511123   0.0090928460   0.0041448433  -0.0027656818
 5 14  -0.0010956308  -0.0008704248  -0.0005727366  -0.0015836901  -0.0043743932
 5 15   0.0027989116   0.0043903744
 6  1   0.0095706798  -0.0168695417  -0.0988848907  -0.0332522310  -0.0254958253
 6  2   0.7027313251  -0.0563634074  -0.0228843605  -0.1434095039   0.0082815945
 6  3   0.0364243367  -0.0822625362   0.0424024419   0.0386941255  -0.3375559407
 6  4  -0.0321543011  -0.0170105136  -0.0226999250   0.0181525155   0.0062763232
 6  5   0.0081803727  -0.0209625032   0.0092704481   0.0100819870   0.0421087801
 6  6  -0.0087305756  -0.0423370691   0.0056031421  -0.0015193677   0.0025178136
 6  7   0.0019809615   0.0028454629   0.0009593628   0.0009458079   0.0020127640
 6  8  -0.0002023781  -0.0003116548  -0.0016907848  -0.0029718879   0.0002802927
 6  9  -0.000053 hondo
o  4,7,9,11,16,19                                                              \
   basis =o 3-21g hondo
h  5-6,8,12,14,17-18,20-24                                                     \
   basis =h 3-21g hondo
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=8850
   natoms=24
   nshell=84
   nbf(CAO)=132
   nbf(AO)=132
   dim(trafo[SAO<-->AO/CAO])=132
   rhfshells=1
$scfmo    file=mos
$closed shells
 a       1-48                                   ( 2 )
$scfiterlimit       30
$scfconv        7
$thize     0.10000000E-04
$thime        5
$scfdamp   start=0.500  step=0.050  min=0.100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$optimize
   internal   on
   redundant  on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=33  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit off
   diag=default
$energy    file=energy
$grad    file=gradient
$forceapprox    file=forceapprox
$lock off
$last step     force
$last SCF energy change = -.83479165E-06
$maximum norm of cartesian gradient = 0.49949058E-03
$maximum norm of internal gradient = 0.34517127E-03
$orbital_max_rnorm 0.17669727373131E-04
$maxcor 500
$dipole
  x     0.60010931560956    y    -0.05375798215498    z    -0.03181229927210
   | dipole | =    1.5335783488  debye
$hessian (projected)
 1  1   0.6660519054   0.0487146916   0.1143620592  -0.1899652754   0.0286919833
 1  2   0.0095706798  -0.0425841461   0.0182574601   0.0105777036   0.0051840965
 1  3  -0.0053215941   0.0013633194  -0.0014398575  -0.0007816142  -0.0021150938
 1  4   0.0021458027   0.0001192634   0.0000261855  -0.0014903153  -0.0039818623
 1  5  -0.0040326430  -0.2468213051  -0.0461735340  -0.1311193706  -0.0911157123
 1  6  -0.0068209575   0.0311077547  -0.0029079084  -0.0053540910  -0.0011365525
 1  7   0.0017383480   0.0025600286   0.0009483856  -0.0001352664  -0.0000357598
 1  8   0.0004318131  -0.0080287817  -0.0379682446  -0.0001355477   0.0019817182
 1  9   0.0014394176   0.0008762002  -0.0041655234  -0.0021078900  -0.0037582734
 1 10  -0.0948963544   0.0105761891  -0.0201088442   0.0000948999   0.0001977069
 1 11  -0.0000414604   0.0005714523  -0.0012428317   0.0001559640  -0.0002263318
 1 12   0.0017519813   0.0000165358   0.0003214448  -0.0011918806   0.0009916110
 1 13   0.0000612789  -0.0038678011   0.0010420781  -0.0010680032   0.0008901596
 1 14   0.0006754328   0.0002018487  -0.0001290599   0.0001169123   0.0064919856
 1 15   0.0017782393  -0.0098148495
 2  1   0.0487146916   0.5869144960   0.0296679787   0.0254889925  -0.0797605823
 2  2  -0.0168695417  -0.0099548888   0.0138814928   0.0094708261   0.0377014405
 2  3  -0.0356089394  -0.0053413594  -0.0079167549   0.0033903064   0.0036111940
 2  4   0.0014771286  -0.0001048460   0.0003712769  -0.0077540543  -0.0049675912
 2  5  -0.0032573572  -0.0547181164  -0.0735435403  -0.0439531388   0.0075903872
 2  6  -0.1089910015  -0.0027151791  -0.0049855884   0.0070585901   0.0060408377
 2  7   0.0069919737  -0.0026848714  -0.0003861054  -0.0003256940  -0.0004717379
 2  8  -0.0002009077  -0.0212596047  -0.0393666280  -0.0109261188   0.0052132210
 2  9   0.0044798446   0.0038794372   0.0008649532  -0.0002076641   0.0011237239
 2 10  -0.0175530804  -0.2471634418  -0.0266042548  -0.0000902262  -0.0002034299
 2 11  -0.0000203663   0.0007339231   0.0016140098  -0.0000931927   0.0005823904
 2 12   0.0030667453  -0.0022326951   0.0003547850  -0.0030599550   0.0026135153
 2 13  -0.0024378717  -0.0076916732   0.0018488881  -0.0018788129   0.0020767923
 2 14  -0.0001757057  -0.0009748683  -0.0003419701   0.0002327954  -0.0058643260
 2 15  -0.0183144053   0.0539154494
 3  1   0.1143620592   0.0296679787   0.6179067781   0.0232867023  -0.0257003746
 3  2  -0.0988848907  -0.0180986483   0.0137097492   0.0143818578  -0.0049198028
 3  3   0.0031060970  -0.0077320063   0.0360940984  -0.0147868862  -0.0096630300
 3  4  -0.0023297212   0.0004031549  -0.0036400725  -0.0068152284  -0.0019499159
 3  5  -0.0045391308  -0.1326942488  -0.0406599410  -0.1565424912   0.0205327261
 3  6   0.0557258705  -0.2481285674   0.0019849343   0.0010327229   0.0002787361
 3  7  -0.0003620604   0.0001002740  -0.0011049123   0.0006826594   0.0004138083
 3  8  -0.0004699073  -0.0021623233  -0.0295418414   0.0072279375  -0.0013187398
 3  9  -0.0021867370  -0.0038705233  -0.0050606722  -0.0030703183  -0.0046988692
 3 10  -0.0212993907   0.0089915595  -0.0888524377   0.0001564964   0.0002298849
 3 11  -0.0000346293   0.0001554828  -0.0016933235   0.0004924876   0.0006404718
 3 12   0.0012992553  -0.0009723283   0.0000709503   0.0000282496   0.0013402353
 3 13   0.0004828224   0.0029167617  -0.0009086222  -0.0017007865   0.0005468772
 3 14   0.0007533702   0.0001503017   0.0000589817   0.0000860619  -0.0018380829
 3 15   0.0013581124  -0.0124250463
 4  1  -0.1899652754   0.0254889925   0.0232867023   0.5751721464  -0.0134051748
 4  2  -0.0332522310  -0.1398826782  -0.0162703032  -0.0453707477  -0.1053334407
 4  3  -0.0373524810   0.0155715352  -0.0735551243  -0.0029786602   0.0420052333
 4  4   0.0020506318  -0.0007453294  -0.0001569682  -0.0511113023  -0.0130360895
 4  5  -0.0202165091  -0.0270001332   0.0145852172   0.0126989124  -0.0062254131
 4  6   0.0019059376   0.0108578192   0.0019881540  -0.0075151490   0.0016861454
 4  7   0.0024451852   0.0045714632   0.0001971015   0.0001600814   0.0005320883
 4  8  -0.0001084471   0.0072861462   0.0011336959   0.0035060437  -0.0007283781
 4  9  -0.0002116204  -0.0004481712  -0.0009046277   0.0000440348  -0.0002674442
 4 10   0.0066803094  -0.0098294120  -0.0064677423  -0.0001082913   0.0003638567
 4 11  -0.0000249098  -0.0000617467  -0.0005236431   0.0000735639  -0.0004276159
 4 12   0.0001341814   0.0000009636   0.0001890460   0.0004237689  -0.0003666880
 4 13   0.0051528956   0.0474923993  -0.0091908375  -0.0059138466   0.0048865148
 4 14   0.0027581354   0.0007668968   0.0008001857   0.0004348943  -0.0006736192
 4 15  -0.0004944736   0.0027936459
 5  1   0.0286919833  -0.0797605823  -0.0257003746  -0.0134051748   0.5692011462
 5  2  -0.0254958253  -0.0358132832  -0.0993144477  -0.0283206855   0.0216238677
 5  3  -0.2410855863   0.0295659519  -0.0038947055  -0.0650186207   0.0403456091
 5  4   0.0078291824   0.0034773778   0.0075544887   0.0206484583   0.0021188641
 5  5   0.0085760213  -0.0107391271   0.0074067696   0.0022316557  -0.0074752631
 5  6   0.0000354371   0.0120590604  -0.0335574939  -0.0170050300  -0.0237025482
 5  7  -0.0000103073  -0.0067988480   0.0016391691  -0.0002519005   0.0006948580
 5  8   0.0003970111   0.0052792338   0.0005487197  -0.0011738284  -0.0004808561
 5  9  -0.0002713754  -0.0002150516  -0.0005702172  -0.0003579976   0.0000052887
 5 10   0.0320146355  -0.0438551616  -0.0085938290  -0.0002125819   0.0004846992
 5 11   0.0000147662  -0.0000343938   0.0000421950   0.0001244676  -0.0002370010
 5 12   0.0005942608   0.0000568420   0.0004165433  -0.0002460587  -0.0001720887
 5 13  -0.0087216244  -0.0303511123   0.0090928460   0.0041448433  -0.0027656818
 5 14  -0.0010956308  -0.0008704248  -0.0005727366  -0.0015836901  -0.0043743932
 5 15   0.0027989116   0.0043903744
 6  1   0.0095706798  -0.0168695417  -0.0988848907  -0.0332522310  -0.0254958253
 6  2   0.7027313251  -0.0563634074  -0.0228843605  -0.1434095039   0.0082815945
 6  3   0.0364243367  -0.0822625362   0.0424024419   0.0386941255  -0.3375559407
 6  4  -0.0321543011  -0.0170105136  -0.0226999250   0.0181525155   0.0062763232
 6  5   0.0081803727  -0.0209625032   0.0092704481   0.0100819870   0.0421087801
 6  6  -0.0087305756  -0.0423370691   0.0056031421  -0.0015193677   0.0025178136
 6  7   0.0019809615   0.0028454629   0.0009593628   0.0009458079   0.0020127640
 6  8  -0.0002023781  -0.0003116548  -0.0016907848  -0.0029718879   0.0002802927
 6  9  -0.000053 hondo
o  4,7,9,11,16,19                                                              \
   basis =o 3-21g hondo
h  5-6,8,12,14,17-18,20-24                                                     \
   basis =h 3-21g hondo
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=8850
   natoms=24
   nshell=84
   nbf(CAO)=132
   nbf(AO)=132
   dim(trafo[SAO<-->AO/CAO])=132
   rhfshells=1
$scfmo    file=mos
$closed shells
 a       1-48                                   ( 2 )
$scfiterlimit       30
$scfconv        7
$thize     0.10000000E-04
$thime        5
$scfdamp   start=0.500  step=0.050  min=0.100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$optimize
   internal   on
   redundant  on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=33  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit off
   diag=default
$energy    file=energy
$grad    file=gradient
$forceapprox    file=forceapprox
$lock off
$last step     force
$last SCF energy change = -.83479165E-06
$maximum norm of cartesian gradient = 0.49949058E-03
$maximum norm of internal gradient = 0.34517127E-03
$orbital_max_rnorm 0.17669727373131E-04
$maxcor 500
$dipole
  x     0.60010931560956    y    -0.05375798215498    z    -0.03181229927210
   | dipole | =    1.5335783488  debye
$hessian (projected)
 1  1   0.6660519054   0.0487146916   0.1143620592  -0.1899652754   0.0286919833
 1  2   0.0095706798  -0.0425841461   0.0182574601   0.0105777036   0.0051840965
 1  3  -0.0053215941   0.0013633194  -0.0014398575  -0.0007816142  -0.0021150938
 1  4   0.0021458027   0.0001192634   0.0000261855  -0.0014903153  -0.0039818623
 1  5  -0.0040326430  -0.2468213051  -0.0461735340  -0.1311193706  -0.0911157123
 1  6  -0.0068209575   0.0311077547  -0.0029079084  -0.0053540910  -0.0011365525
 1  7   0.0017383480   0.0025600286   0.0009483856  -0.0001352664  -0.0000357598
 1  8   0.0004318131  -0.0080287817  -0.0379682446  -0.0001355477   0.0019817182
 1  9   0.0014394176   0.0008762002  -0.0041655234  -0.0021078900  -0.0037582734
 1 10  -0.0948963544   0.0105761891  -0.0201088442   0.0000948999   0.0001977069
 1 11  -0.0000414604   0.0005714523  -0.0012428317   0.0001559640  -0.0002263318
 1 12   0.0017519813   0.0000165358   0.0003214448  -0.0011918806   0.0009916110
 1 13   0.0000612789  -0.0038678011   0.0010420781  -0.0010680032   0.0008901596
 1 14   0.0006754328   0.0002018487  -0.0001290599   0.0001169123   0.0064919856
 1 15   0.0017782393  -0.0098148495
 2  1   0.0487146916   0.5869144960   0.0296679787   0.0254889925  -0.0797605823
 2  2  -0.0168695417  -0.0099548888   0.0138814928   0.0094708261   0.0377014405
 2  3  -0.0356089394  -0.0053413594  -0.0079167549   0.0033903064   0.0036111940
 2  4   0.0014771286  -0.0001048460   0.0003712769  -0.0077540543  -0.0049675912
 2  5  -0.0032573572  -0.0547181164  -0.0735435403  -0.0439531388   0.0075903872
 2  6  -0.1089910015  -0.0027151791  -0.0049855884   0.0070585901   0.0060408377
 2  7   0.0069919737  -0.0026848714  -0.0003861054  -0.0003256940  -0.0004717379
 2  8  -0.0002009077  -0.0212596047  -0.0393666280  -0.0109261188   0.0052132210
 2  9   0.0044798446   0.0038794372   0.0008649532  -0.0002076641   0.0011237239
 2 10  -0.0175530804  -0.2471634418  -0.0266042548  -0.0000902262  -0.0002034299
 2 11  -0.0000203663   0.0007339231   0.0016140098  -0.0000931927   0.0005823904
 2 12   0.0030667453  -0.0022326951   0.0003547850  -0.0030599550   0.0026135153
 2 13  -0.0024378717  -0.0076916732   0.0018488881  -0.0018788129   0.0020767923
 2 14  -0.0001757057  -0.0009748683  -0.0003419701   0.0002327954  -0.0058643260
 2 15  -0.0183144053   0.0539154494
 3  1   0.1143620592   0.0296679787   0.6179067781   0.0232867023  -0.0257003746
 3  2  -0.0988848907  -0.0180986483   0.0137097492   0.0143818578  -0.0049198028
 3  3   0.0031060970  -0.0077320063   0.0360940984  -0.0147868862  -0.0096630300
 3  4  -0.0023297212   0.0004031549  -0.0036400725  -0.0068152284  -0.0019499159
 3  5  -0.0045391308  -0.1326942488  -0.0406599410  -0.1565424912   0.0205327261
 3  6   0.0557258705  -0.2481285674   0.0019849343   0.0010327229   0.0002787361
 3  7  -0.0003620604   0.0001002740  -0.0011049123   0.0006826594   0.0004138083
 3  8  -0.0004699073  -0.0021623233  -0.0295418414   0.0072279375  -0.0013187398
 3  9  -0.0021867370  -0.0038705233  -0.0050606722  -0.0030703183  -0.0046988692
 3 10  -0.0212993907   0.0089915595  -0.0888524377   0.0001564964   0.0002298849
 3 11  -0.0000346293   0.0001554828  -0.0016933235   0.0004924876   0.0006404718
 3 12   0.0012992553  -0.0009723283   0.0000709503   0.0000282496   0.0013402353
 3 13   0.0004828224   0.0029167617  -0.0009086222  -0.0017007865   0.0005468772
 3 14   0.0007533702   0.0001503017   0.0000589817   0.0000860619  -0.0018380829
 3 15   0.0013581124  -0.0124250463
 4  1  -0.1899652754   0.0254889925   0.0232867023   0.5751721464  -0.0134051748
 4  2  -0.0332522310  -0.1398826782  -0.0162703032  -0.0453707477  -0.1053334407
 4  3  -0.0373524810   0.0155715352  -0.0735551243  -0.0029786602   0.0420052333
 4  4   0.0020506318  -0.0007453294  -0.0001569682  -0.0511113023  -0.0130360895
 4  5  -0.0202165091  -0.0270001332   0.0145852172   0.0126989124  -0.0062254131
 4  6   0.0019059376   0.0108578192   0.0019881540  -0.0075151490   0.0016861454
 4  7   0.0024451852   0.0045714632   0.0001971015   0.0001600814   0.0005320883
 4  8  -0.0001084471   0.0072861462   0.0011336959   0.0035060437  -0.0007283781
 4  9  -0.0002116204  -0.0004481712  -0.0009046277   0.0000440348  -0.0002674442
 4 10   0.0066803094  -0.0098294120  -0.0064677423  -0.0001082913   0.0003638567
 4 11  -0.0000249098  -0.0000617467  -0.0005236431   0.0000735639  -0.0004276159
 4 12   0.0001341814   0.0000009636   0.0001890460   0.0004237689  -0.0003666880
 4 13   0.0051528956   0.0474923993  -0.0091908375  -0.0059138466   0.0048865148
 4 14   0.0027581354   0.0007668968   0.0008001857   0.0004348943  -0.0006736192
 4 15  -0.0004944736   0.0027936459
 5  1   0.0286919833  -0.0797605823  -0.0257003746  -0.0134051748   0.5692011462
 5  2  -0.0254958253  -0.0358132832  -0.0993144477  -0.0283206855   0.0216238677
 5  3  -0.2410855863   0.0295659519  -0.0038947055  -0.0650186207   0.0403456091
 5  4   0.0078291824   0.0034773778   0.0075544887   0.0206484583   0.0021188641
 5  5   0.0085760213  -0.0107391271   0.0074067696   0.0022316557  -0.0074752631
 5  6   0.0000354371   0.0120590604  -0.0335574939  -0.0170050300  -0.0237025482
 5  7  -0.0000103073  -0.0067988480   0.0016391691  -0.0002519005   0.0006948580
 5  8   0.0003970111   0.0052792338   0.0005487197  -0.0011738284  -0.0004808561
 5  9  -0.0002713754  -0.0002150516  -0.0005702172  -0.0003579976   0.0000052887
 5 10   0.0320146355  -0.0438551616  -0.0085938290  -0.0002125819   0.0004846992
 5 11   0.0000147662  -0.0000343938   0.0000421950   0.0001244676  -0.0002370010
 5 12   0.0005942608   0.0000568420   0.0004165433  -0.0002460587  -0.0001720887
 5 13  -0.0087216244  -0.0303511123   0.0090928460   0.0041448433  -0.0027656818
 5 14  -0.0010956308  -0.0008704248  -0.0005727366  -0.0015836901  -0.0043743932
 5 15   0.0027989116   0.0043903744
 6  1   0.0095706798  -0.0168695417  -0.0988848907  -0.0332522310  -0.0254958253
 6  2   0.7027313251  -0.0563634074  -0.0228843605  -0.1434095039   0.0082815945
 6  3   0.0364243367  -0.0822625362   0.0424024419   0.0386941255  -0.3375559407
 6  4  -0.0321543011  -0.0170105136  -0.0226999250   0.0181525155   0.0062763232
 6  5   0.0081803727  -0.0209625032   0.0092704481   0.0100819870   0.0421087801
 6  6  -0.0087305756  -0.0423370691   0.0056031421  -0.0015193677   0.0025178136
 6  7   0.0019809615   0.0028454629   0.0009593628   0.0009458079   0.0020127640
 6  8  -0.0002023781  -0.0003116548  -0.0016907848  -0.0029718879   0.0002802927
 6  9  -0.000053 hondo
o  4,7,9,11,16,19                                                              \
   basis =o 3-21g hondo
h  5-6,8,12,14,17-18,20-24                                                     \
   basis =h 3-21g hondo
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=8850
   natoms=24
   nshell=84
   nbf(CAO)=132
   nbf(AO)=132
   dim(trafo[SAO<-->AO/CAO])=132
   rhfshells=1
$scfmo    file=mos
$closed shells
 a       1-48                                   ( 2 )
$scfiterlimit       30
$scfconv        7
$thize     0.10000000E-04
$thime        5
$scfdamp   start=0.500  step=0.050  min=0.100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$optimize
   internal   on
   redundant  on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=33  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit off
   diag=default
$energy    file=energy
$grad    file=gradient
$forceapprox    file=forceapprox
$lock off
$last step     force
$last SCF energy change = -.83479165E-06
$maximum norm of cartesian gradient = 0.49949058E-03
$maximum norm of internal gradient = 0.34517127E-03
$orbital_max_rnorm 0.17669727373131E-04
$maxcor 500
$dipole
  x     0.60010931560956    y    -0.05375798215498    z    -0.03181229927210
   | dipole | =    1.5335783488  debye
$hessian (projected)
 1  1   0.6660519054   0.0487146916   0.1143620592  -0.1899652754   0.0286919833
 1  2   0.0095706798  -0.0425841461   0.0182574601   0.0105777036   0.0051840965
 1  3  -0.0053215941   0.0013633194  -0.0014398575  -0.0007816142  -0.0021150938
 1  4   0.0021458027   0.0001192634   0.0000261855  -0.0014903153  -0.0039818623
 1  5  -0.0040326430  -0.2468213051  -0.0461735340  -0.1311193706  -0.0911157123
 1  6  -0.0068209575   0.0311077547  -0.0029079084  -0.0053540910  -0.0011365525
 1  7   0.0017383480   0.0025600286   0.0009483856  -0.0001352664  -0.0000357598
 1  8   0.0004318131  -0.0080287817  -0.0379682446  -0.0001355477   0.0019817182
 1  9   0.0014394176   0.0008762002  -0.0041655234  -0.0021078900  -0.0037582734
 1 10  -0.0948963544   0.0105761891  -0.0201088442   0.0000948999   0.0001977069
 1 11  -0.0000414604   0.0005714523  -0.0012428317   0.0001559640  -0.0002263318
 1 12   0.0017519813   0.0000165358   0.0003214448  -0.0011918806   0.0009916110
 1 13   0.0000612789  -0.0038678011   0.0010420781  -0.0010680032   0.0008901596
 1 14   0.0006754328   0.0002018487  -0.0001290599   0.0001169123   0.0064919856
 1 15   0.0017782393  -0.0098148495
 2  1   0.0487146916   0.5869144960   0.0296679787   0.0254889925  -0.0797605823
 2  2  -0.0168695417  -0.0099548888   0.0138814928   0.0094708261   0.0377014405
 2  3  -0.0356089394  -0.0053413594  -0.0079167549   0.0033903064   0.0036111940
 2  4   0.0014771286  -0.0001048460   0.0003712769  -0.0077540543  -0.0049675912
 2  5  -0.0032573572  -0.0547181164  -0.0735435403  -0.0439531388   0.0075903872
 2  6  -0.1089910015  -0.0027151791  -0.0049855884   0.0070585901   0.0060408377
 2  7   0.0069919737  -0.0026848714  -0.0003861054  -0.0003256940  -0.0004717379
 2  8  -0.0002009077  -0.0212596047  -0.0393666280  -0.0109261188   0.0052132210
 2  9   0.0044798446   0.0038794372   0.0008649532  -0.0002076641   0.0011237239
 2 10  -0.0175530804  -0.2471634418  -0.0266042548  -0.0000902262  -0.0002034299
 2 11  -0.0000203663   0.0007339231   0.0016140098  -0.0000931927   0.0005823904
 2 12   0.0030667453  -0.0022326951   0.0003547850  -0.0030599550   0.0026135153
 2 13  -0.0024378717  -0.0076916732   0.0018488881  -0.0018788129   0.0020767923
 2 14  -0.0001757057  -0.0009748683  -0.0003419701   0.0002327954  -0.0058643260
 2 15  -0.0183144053   0.0539154494
 3  1   0.1143620592   0.0296679787   0.6179067781   0.0232867023  -0.0257003746
 3  2  -0.0988848907  -0.0180986483   0.0137097492   0.0143818578  -0.0049198028
 3  3   0.0031060970  -0.0077320063   0.0360940984  -0.0147868862  -0.0096630300
 3  4  -0.0023297212   0.0004031549  -0.0036400725  -0.0068152284  -0.0019499159
 3  5  -0.0045391308  -0.1326942488  -0.0406599410  -0.1565424912   0.0205327261
 3  6   0.0557258705  -0.2481285674   0.0019849343   0.0010327229   0.0002787361
 3  7  -0.0003620604   0.0001002740  -0.0011049123   0.0006826594   0.0004138083
 3  8  -0.0004699073  -0.0021623233  -0.0295418414   0.0072279375  -0.0013187398
 3  9  -0.0021867370  -0.0038705233  -0.0050606722  -0.0030703183  -0.0046988692
 3 10  -0.0212993907   0.0089915595  -0.0888524377   0.0001564964   0.0002298849
 3 11  -0.0000346293   0.0001554828  -0.0016933235   0.0004924876   0.0006404718
 3 12   0.0012992553  -0.0009723283   0.0000709503   0.0000282496   0.0013402353
 3 13   0.0004828224   0.0029167617  -0.0009086222  -0.0017007865   0.0005468772
 3 14   0.0007533702   0.0001503017   0.0000589817   0.0000860619  -0.0018380829
 3 15   0.0013581124  -0.0124250463
 4  1  -0.1899652754   0.0254889925   0.0232867023   0.5751721464  -0.0134051748
 4  2  -0.0332522310  -0.1398826782  -0.0162703032  -0.0453707477  -0.1053334407
 4  3  -0.0373524810   0.0155715352  -0.0735551243  -0.0029786602   0.0420052333
 4  4   0.0020506318  -0.0007453294  -0.0001569682  -0.0511113023  -0.0130360895
 4  5  -0.0202165091  -0.0270001332   0.0145852172   0.0126989124  -0.0062254131
 4  6   0.0019059376   0.0108578192   0.0019881540  -0.0075151490   0.0016861454
 4  7   0.0024451852   0.0045714632   0.0001971015   0.0001600814   0.0005320883
 4  8  -0.0001084471   0.0072861462   0.0011336959   0.0035060437  -0.0007283781
 4  9  -0.0002116204  -0.0004481712  -0.0009046277   0.0000440348  -0.0002674442
 4 10   0.0066803094  -0.0098294120  -0.0064677423  -0.0001082913   0.0003638567
 4 11  -0.0000249098  -0.0000617467  -0.0005236431   0.0000735639  -0.0004276159
 4 12   0.0001341814   0.0000009636   0.0001890460   0.0004237689  -0.0003666880
 4 13   0.0051528956   0.0474923993  -0.0091908375  -0.0059138466   0.0048865148
 4 14   0.0027581354   0.0007668968   0.0008001857   0.0004348943  -0.0006736192
 4 15  -0.0004944736   0.0027936459
 5  1   0.0286919833  -0.0797605823  -0.0257003746  -0.0134051748   0.5692011462
 5  2  -0.0254958253  -0.0358132832  -0.0993144477  -0.0283206855   0.0216238677
 5  3  -0.2410855863   0.0295659519  -0.0038947055  -0.0650186207   0.0403456091
 5  4   0.0078291824   0.0034773778   0.0075544887   0.0206484583   0.0021188641
 5  5   0.0085760213  -0.0107391271   0.0074067696   0.0022316557  -0.0074752631
 5  6   0.0000354371   0.0120590604  -0.0335574939  -0.0170050300  -0.0237025482
 5  7  -0.0000103073  -0.0067988480   0.0016391691  -0.0002519005   0.0006948580
 5  8   0.0003970111   0.0052792338   0.0005487197  -0.0011738284  -0.0004808561
 5  9  -0.0002713754  -0.0002150516  -0.0005702172  -0.0003579976   0.0000052887
 5 10   0.0320146355  -0.0438551616  -0.0085938290  -0.0002125819   0.0004846992
 5 11   0.0000147662  -0.0000343938   0.0000421950   0.0001244676  -0.0002370010
 5 12   0.0005942608   0.0000568420   0.0004165433  -0.0002460587  -0.0001720887
 5 13  -0.0087216244  -0.0303511123   0.0090928460   0.0041448433  -0.0027656818
 5 14  -0.0010956308  -0.0008704248  -0.0005727366  -0.0015836901  -0.0043743932
 5 15   0.0027989116   0.0043903744
 6  1   0.0095706798  -0.0168695417  -0.0988848907  -0.0332522310  -0.0254958253
 6  2   0.7027313251  -0.0563634074  -0.0228843605  -0.1434095039   0.0082815945
 6  3   0.0364243367  -0.0822625362   0.0424024419   0.0386941255  -0.3375559407
 6  4  -0.0321543011  -0.0170105136  -0.0226999250   0.0181525155   0.0062763232
 6  5   0.0081803727  -0.0209625032   0.0092704481   0.0100819870   0.0421087801
 6  6  -0.0087305756  -0.0423370691   0.0056031421  -0.0015193677   0.0025178136
 6  7   0.0019809615   0.0028454629   0.0009593628   0.0009458079   0.0020127640
 6  8  -0.0002023781  -0.0003116548  -0.0016907848  -0.0029718879   0.0002802927
 6  9  -0.000053 hondo
o  4,7,9,11,16,19                                                              \
   basis =o 3-21g hondo
h  5-6,8,12,14,17-18,20-24                                                     \
   basis =h 3-21g hondo
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=8850
   natoms=24
   nshell=84
   nbf(CAO)=132
   nbf(AO)=132
   dim(trafo[SAO<-->AO/CAO])=132
   rhfshells=1
$scfmo    file=mos
$closed shells
 a       1-48                                   ( 2 )
$scfiterlimit       30
$scfconv        7
$thize     0.10000000E-04
$thime        5
$scfdamp   start=0.500  step=0.050  min=0.100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$optimize
   internal   on
   redundant  on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=33  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit off
   diag=default
$energy    file=energy
$grad    file=gradient
$forceapprox    file=forceapprox
$lock off
$last step     force
$last SCF energy change = -.83479165E-06
$maximum norm of cartesian gradient = 0.49949058E-03
$maximum norm of internal gradient = 0.34517127E-03
$orbital_max_rnorm 0.17669727373131E-04
$maxcor 500
$dipole
  x     0.60010931560956    y    -0.05375798215498    z    -0.03181229927210
   | dipole | =    1.5335783488  debye
$hessian (projected)
 1  1   0.6660519054   0.0487146916   0.1143620592  -0.1899652754   0.0286919833
 1  2   0.0095706798  -0.0425841461   0.0182574601   0.0105777036   0.0051840965
 1  3  -0.0053215941   0.0013633194  -0.0014398575  -0.0007816142  -0.0021150938
 1  4   0.0021458027   0.0001192634   0.0000261855  -0.0014903153  -0.0039818623
 1  5  -0.0040326430  -0.2468213051  -0.0461735340  -0.1311193706  -0.0911157123
 1  6  -0.0068209575   0.0311077547  -0.0029079084  -0.0053540910  -0.0011365525
 1  7   0.0017383480   0.0025600286   0.0009483856  -0.0001352664  -0.0000357598
 1  8   0.0004318131  -0.0080287817  -0.0379682446  -0.0001355477   0.0019817182
 1  9   0.0014394176   0.0008762002  -0.0041655234  -0.0021078900  -0.0037582734
 1 10  -0.0948963544   0.0105761891  -0.0201088442   0.0000948999   0.0001977069
 1 11  -0.0000414604   0.0005714523  -0.0012428317   0.0001559640  -0.0002263318
 1 12   0.0017519813   0.0000165358   0.0003214448  -0.0011918806   0.0009916110
 1 13   0.0000612789  -0.0038678011   0.0010420781  -0.0010680032   0.0008901596
 1 14   0.0006754328   0.0002018487  -0.0001290599   0.0001169123   0.0064919856
 1 15   0.0017782393  -0.0098148495
 2  1   0.0487146916   0.5869144960   0.0296679787   0.0254889925  -0.0797605823
 2  2  -0.0168695417  -0.0099548888   0.0138814928   0.0094708261   0.0377014405
 2  3  -0.0356089394  -0.0053413594  -0.0079167549   0.0033903064   0.0036111940
 2  4   0.0014771286  -0.0001048460   0.0003712769  -0.0077540543  -0.0049675912
 2  5  -0.0032573572  -0.0547181164  -0.0735435403  -0.0439531388   0.0075903872
 2  6  -0.1089910015  -0.0027151791  -0.0049855884   0.0070585901   0.0060408377
 2  7   0.0069919737  -0.0026848714  -0.0003861054  -0.0003256940  -0.0004717379
 2  8  -0.0002009077  -0.0212596047  -0.0393666280  -0.0109261188   0.0052132210
 2  9   0.0044798446   0.0038794372   0.0008649532  -0.0002076641   0.0011237239
 2 10  -0.0175530804  -0.2471634418  -0.0266042548  -0.0000902262  -0.0002034299
 2 11  -0.0000203663   0.0007339231   0.0016140098  -0.0000931927   0.0005823904
 2 12   0.0030667453  -0.0022326951   0.0003547850  -0.0030599550   0.0026135153
 2 13  -0.0024378717  -0.0076916732   0.0018488881  -0.0018788129   0.0020767923
 2 14  -0.0001757057  -0.0009748683  -0.0003419701   0.0002327954  -0.0058643260
 2 15  -0.0183144053   0.0539154494
 3  1   0.1143620592   0.0296679787   0.6179067781   0.0232867023  -0.0257003746
 3  2  -0.0988848907  -0.0180986483   0.0137097492   0.0143818578  -0.0049198028
 3  3   0.0031060970  -0.0077320063   0.0360940984  -0.0147868862  -0.0096630300
 3  4  -0.0023297212   0.0004031549  -0.0036400725  -0.0068152284  -0.0019499159
 3  5  -0.0045391308  -0.1326942488  -0.0406599410  -0.1565424912   0.0205327261
 3  6   0.0557258705  -0.2481285674   0.0019849343   0.0010327229   0.0002787361
 3  7  -0.0003620604   0.0001002740  -0.0011049123   0.0006826594   0.0004138083
 3  8  -0.0004699073  -0.0021623233  -0.0295418414   0.0072279375  -0.0013187398
 3  9  -0.0021867370  -0.0038705233  -0.0050606722  -0.0030703183  -0.0046988692
 3 10  -0.0212993907   0.0089915595  -0.0888524377   0.0001564964   0.0002298849
 3 11  -0.0000346293   0.0001554828  -0.0016933235   0.0004924876   0.0006404718
 3 12   0.0012992553  -0.0009723283   0.0000709503   0.0000282496   0.0013402353
 3 13   0.0004828224   0.0029167617  -0.0009086222  -0.0017007865   0.0005468772
 3 14   0.0007533702   0.0001503017   0.0000589817   0.0000860619  -0.0018380829
 3 15   0.0013581124  -0.0124250463
 4  1  -0.1899652754   0.0254889925   0.0232867023   0.5751721464  -0.0134051748
 4  2  -0.0332522310  -0.1398826782  -0.0162703032  -0.0453707477  -0.1053334407
 4  3  -0.0373524810   0.0155715352  -0.0735551243  -0.0029786602   0.0420052333
 4  4   0.0020506318  -0.0007453294  -0.0001569682  -0.0511113023  -0.0130360895
 4  5  -0.0202165091  -0.0270001332   0.0145852172   0.0126989124  -0.0062254131
 4  6   0.0019059376   0.0108578192   0.0019881540  -0.0075151490   0.0016861454
 4  7   0.0024451852   0.0045714632   0.0001971015   0.0001600814   0.0005320883
 4  8  -0.0001084471   0.0072861462   0.0011336959   0.0035060437  -0.0007283781
 4  9  -0.0002116204  -0.0004481712  -0.0009046277   0.0000440348  -0.0002674442
 4 10   0.0066803094  -0.0098294120  -0.0064677423  -0.0001082913   0.0003638567
 4 11  -0.0000249098  -0.0000617467  -0.0005236431   0.0000735639  -0.0004276159
 4 12   0.0001341814   0.0000009636   0.0001890460   0.0004237689  -0.0003666880
 4 13   0.0051528956   0.0474923993  -0.0091908375  -0.0059138466   0.0048865148
 4 14   0.0027581354   0.0007668968   0.0008001857   0.0004348943  -0.0006736192
 4 15  -0.0004944736   0.0027936459
 5  1   0.0286919833  -0.0797605823  -0.0257003746  -0.0134051748   0.5692011462
 5  2  -0.0254958253  -0.0358132832  -0.0993144477  -0.0283206855   0.0216238677
 5  3  -0.2410855863   0.0295659519  -0.0038947055  -0.0650186207   0.0403456091
 5  4   0.0078291824   0.0034773778   0.0075544887   0.0206484583   0.0021188641
 5  5   0.0085760213  -0.0107391271   0.0074067696   0.0022316557  -0.0074752631
 5  6   0.0000354371   0.0120590604  -0.0335574939  -0.0170050300  -0.0237025482
 5  7  -0.0000103073  -0.0067988480   0.0016391691  -0.0002519005   0.0006948580
 5  8   0.0003970111   0.0052792338   0.0005487197  -0.0011738284  -0.0004808561
 5  9  -0.0002713754  -0.0002150516  -0.0005702172  -0.0003579976   0.0000052887
 5 10   0.0320146355  -0.0438551616  -0.0085938290  -0.0002125819   0.0004846992
 5 11   0.0000147662  -0.0000343938   0.0000421950   0.0001244676  -0.0002370010
 5 12   0.0005942608   0.0000568420   0.0004165433  -0.0002460587  -0.0001720887
 5 13  -0.0087216244  -0.0303511123   0.0090928460   0.0041448433  -0.0027656818
 5 14  -0.0010956308  -0.0008704248  -0.0005727366  -0.0015836901  -0.0043743932
 5 15   0.0027989116   0.0043903744
 6  1   0.0095706798  -0.0168695417  -0.0988848907  -0.0332522310  -0.0254958253
 6  2   0.7027313251  -0.0563634074  -0.0228843605  -0.1434095039   0.0082815945
 6  3   0.0364243367  -0.0822625362   0.0424024419   0.0386941255  -0.3375559407
 6  4  -0.0321543011  -0.0170105136  -0.0226999250   0.0181525155   0.0062763232
 6  5   0.0081803727  -0.0209625032   0.0092704481   0.0100819870   0.0421087801
 6  6  -0.0087305756  -0.0423370691   0.0056031421  -0.0015193677   0.0025178136
 6  7   0.0019809615   0.0028454629   0.0009593628   0.0009458079   0.0020127640
 6  8  -0.0002023781  -0.0003116548  -0.0016907848  -0.0029718879   0.0002802927
 6  9  -0.000053 hondo
o  4,7,9,11,16,19                                                              \
   basis =o 3-21g hondo
h  5-6,8,12,14,17-18,20-24                                                     \
   basis =h 3-21g hondo
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=8850
   natoms=24
   nshell=84
   nbf(CAO)=132
   nbf(AO)=132
   dim(trafo[SAO<-->AO/CAO])=132
   rhfshells=1
$scfmo    file=mos
$closed shells
 a       1-48                                   ( 2 )
$scfiterlimit       30
$scfconv        7
$thize     0.10000000E-04
$thime        5
$scfdamp   start=0.500  step=0.050  min=0.100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$optimize
   internal   on
   redundant  on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=33  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit off
   diag=default
$energy    file=energy
$grad    file=gradient
$forceapprox    file=forceapprox
$lock off
$last step     force
$last SCF energy change = -.83479165E-06
$maximum norm of cartesian gradient = 0.49949058E-03
$maximum norm of internal gradient = 0.34517127E-03
$orbital_max_rnorm 0.17669727373131E-04
$maxcor 500
$dipole
  x     0.60010931560956    y    -0.05375798215498    z    -0.03181229927210
   | dipole | =    1.5335783488  debye
$hessian (projected)
 1  1   0.6660519054   0.0487146916   0.1143620592  -0.1899652754   0.0286919833
 1  2   0.0095706798  -0.0425841461   0.0182574601   0.0105777036   0.0051840965
 1  3  -0.0053215941   0.0013633194  -0.0014398575  -0.0007816142  -0.0021150938
 1  4   0.0021458027   0.0001192634   0.0000261855  -0.0014903153  -0.0039818623
 1  5  -0.0040326430  -0.2468213051  -0.0461735340  -0.1311193706  -0.0911157123
 1  6  -0.0068209575   0.0311077547  -0.0029079084  -0.0053540910  -0.0011365525
 1  7   0.0017383480   0.0025600286   0.0009483856  -0.0001352664  -0.0000357598
 1  8   0.0004318131  -0.0080287817  -0.0379682446  -0.0001355477   0.0019817182
 1  9   0.0014394176   0.0008762002  -0.0041655234  -0.0021078900  -0.0037582734
 1 10  -0.0948963544   0.0105761891  -0.0201088442   0.0000948999   0.0001977069
 1 11  -0.0000414604   0.0005714523  -0.0012428317   0.0001559640  -0.0002263318
 1 12   0.0017519813   0.0000165358   0.0003214448  -0.0011918806   0.0009916110
 1 13   0.0000612789  -0.0038678011   0.0010420781  -0.0010680032   0.0008901596
 1 14   0.0006754328   0.0002018487  -0.0001290599   0.0001169123   0.0064919856
 1 15   0.0017782393  -0.0098148495
 2  1   0.0487146916   0.5869144960   0.0296679787   0.0254889925  -0.0797605823
 2  2  -0.0168695417  -0.0099548888   0.0138814928   0.0094708261   0.0377014405
 2  3  -0.0356089394  -0.0053413594  -0.0079167549   0.0033903064   0.0036111940
 2  4   0.0014771286  -0.0001048460   0.0003712769  -0.0077540543  -0.0049675912
 2  5  -0.0032573572  -0.0547181164  -0.0735435403  -0.0439531388   0.0075903872
 2  6  -0.1089910015  -0.0027151791  -0.0049855884   0.0070585901   0.0060408377
 2  7   0.0069919737  -0.0026848714  -0.0003861054  -0.0003256940  -0.0004717379
 2  8  -0.0002009077  -0.0212596047  -0.0393666280  -0.0109261188   0.0052132210
 2  9   0.0044798446   0.0038794372   0.0008649532  -0.0002076641   0.0011237239
 2 10  -0.0175530804  -0.2471634418  -0.0266042548  -0.0000902262  -0.0002034299
 2 11  -0.0000203663   0.0007339231   0.0016140098  -0.0000931927   0.0005823904
 2 12   0.0030667453  -0.0022326951   0.0003547850  -0.0030599550   0.0026135153
 2 13  -0.0024378717  -0.0076916732   0.0018488881  -0.0018788129   0.0020767923
 2 14  -0.0001757057  -0.0009748683  -0.0003419701   0.0002327954  -0.0058643260
 2 15  -0.0183144053   0.0539154494
 3  1   0.1143620592   0.0296679787   0.6179067781   0.0232867023  -0.0257003746
 3  2  -0.0988848907  -0.0180986483   0.0137097492   0.0143818578  -0.0049198028
 3  3   0.0031060970  -0.0077320063   0.0360940984  -0.0147868862  -0.0096630300
 3  4  -0.0023297212   0.0004031549  -0.0036400725  -0.0068152284  -0.0019499159
 3  5  -0.0045391308  -0.1326942488  -0.0406599410  -0.1565424912   0.0205327261
 3  6   0.0557258705  -0.2481285674   0.0019849343   0.0010327229   0.0002787361
 3  7  -0.0003620604   0.0001002740  -0.0011049123   0.0006826594   0.0004138083
 3  8  -0.0004699073  -0.0021623233  -0.0295418414   0.0072279375  -0.0013187398
 3  9  -0.0021867370  -0.0038705233  -0.0050606722  -0.0030703183  -0.0046988692
 3 10  -0.0212993907   0.0089915595  -0.0888524377   0.0001564964   0.0002298849
 3 11  -0.0000346293   0.0001554828  -0.0016933235   0.0004924876   0.0006404718
 3 12   0.0012992553  -0.0009723283   0.0000709503   0.0000282496   0.0013402353
 3 13   0.0004828224   0.0029167617  -0.0009086222  -0.0017007865   0.0005468772
 3 14   0.0007533702   0.0001503017   0.0000589817   0.0000860619  -0.0018380829
 3 15   0.0013581124  -0.0124250463
 4  1  -0.1899652754   0.0254889925   0.0232867023   0.5751721464  -0.0134051748
 4  2  -0.0332522310  -0.1398826782  -0.0162703032  -0.0453707477  -0.1053334407
 4  3  -0.0373524810   0.0155715352  -0.0735551243  -0.0029786602   0.0420052333
 4  4   0.0020506318  -0.0007453294  -0.0001569682  -0.0511113023  -0.0130360895
 4  5  -0.0202165091  -0.0270001332   0.0145852172   0.0126989124  -0.0062254131
 4  6   0.0019059376   0.0108578192   0.0019881540  -0.0075151490   0.0016861454
 4  7   0.0024451852   0.0045714632   0.0001971015   0.0001600814   0.0005320883
 4  8  -0.0001084471   0.0072861462   0.0011336959   0.0035060437  -0.0007283781
 4  9  -0.0002116204  -0.0004481712  -0.0009046277   0.0000440348  -0.0002674442
 4 10   0.0066803094  -0.0098294120  -0.0064677423  -0.0001082913   0.0003638567
 4 11  -0.0000249098  -0.0000617467  -0.0005236431   0.0000735639  -0.0004276159
 4 12   0.0001341814   0.0000009636   0.0001890460   0.0004237689  -0.0003666880
 4 13   0.0051528956   0.0474923993  -0.0091908375  -0.0059138466   0.0048865148
 4 14   0.0027581354   0.0007668968   0.0008001857   0.0004348943  -0.0006736192
 4 15  -0.0004944736   0.0027936459
 5  1   0.0286919833  -0.0797605823  -0.0257003746  -0.0134051748   0.5692011462
 5  2  -0.0254958253  -0.0358132832  -0.0993144477  -0.0283206855   0.0216238677
 5  3  -0.2410855863   0.0295659519  -0.0038947055  -0.0650186207   0.0403456091
 5  4   0.0078291824   0.0034773778   0.0075544887   0.0206484583   0.0021188641
 5  5   0.0085760213  -0.0107391271   0.0074067696   0.0022316557  -0.0074752631
 5  6   0.0000354371   0.0120590604  -0.0335574939  -0.0170050300  -0.0237025482
 5  7  -0.0000103073  -0.0067988480   0.0016391691  -0.0002519005   0.0006948580
 5  8   0.0003970111   0.0052792338   0.0005487197  -0.0011738284  -0.0004808561
 5  9  -0.0002713754  -0.0002150516  -0.0005702172  -0.0003579976   0.0000052887
 5 10   0.0320146355  -0.0438551616  -0.0085938290  -0.0002125819   0.0004846992
 5 11   0.0000147662  -0.0000343938   0.0000421950   0.0001244676  -0.0002370010
 5 12   0.0005942608   0.0000568420   0.0004165433  -0.0002460587  -0.0001720887
 5 13  -0.0087216244  -0.0303511123   0.0090928460   0.0041448433  -0.0027656818
 5 14  -0.0010956308  -0.0008704248  -0.0005727366  -0.0015836901  -0.0043743932
 5 15   0.0027989116   0.0043903744
 6  1   0.0095706798  -0.0168695417  -0.0988848907  -0.0332522310  -0.0254958253
 6  2   0.7027313251  -0.0563634074  -0.0228843605  -0.1434095039   0.0082815945
 6  3   0.0364243367  -0.0822625362   0.0424024419   0.0386941255  -0.3375559407
 6  4  -0.0321543011  -0.0170105136  -0.0226999250   0.0181525155   0.0062763232
 6  5   0.0081803727  -0.0209625032   0.0092704481   0.0100819870   0.0421087801
 6  6  -0.0087305756  -0.0423370691   0.0056031421  -0.0015193677   0.0025178136
 6  7   0.0019809615   0.0028454629   0.0009593628   0.0009458079   0.0020127640
 6  8  -0.0002023781  -0.0003116548  -0.0016907848  -0.0029718879   0.0002802927
 6  9  -0.000053 hondo
o  4,7,9,11,16,19                                                              \
   basis =o 3-21g hondo
h  5-6,8,12,14,17-18,20-24                                                     \
   basis =h 3-21g hondo
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=8850
   natoms=24
   nshell=84
   nbf(CAO)=132
   nbf(AO)=132
   dim(trafo[SAO<-->AO/CAO])=132
   rhfshells=1
$scfmo    file=mos
$closed shells
 a       1-48                                   ( 2 )
$scfiterlimit       30
$scfconv        7
$thize     0.10000000E-04
$thime        5
$scfdamp   start=0.500  step=0.050  min=0.100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$optimize
   internal   on
   redundant  on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=33  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit off
   diag=default
$energy    file=energy
$grad    file=gradient
$forceapprox    file=forceapprox
$lock off
$last step     force
$last SCF energy change = -.83479165E-06
$maximum norm of cartesian gradient = 0.49949058E-03
$maximum norm of internal gradient = 0.34517127E-03
$orbital_max_rnorm 0.17669727373131E-04
$maxcor 500
$dipole
  x     0.60010931560956    y    -0.05375798215498    z    -0.03181229927210
   | dipole | =    1.5335783488  debye
$hessian (projected)
 1  1   0.6660519054   0.0487146916   0.1143620592  -0.1899652754   0.0286919833
 1  2   0.0095706798  -0.0425841461   0.0182574601   0.0105777036   0.0051840965
 1  3  -0.0053215941   0.0013633194  -0.0014398575  -0.0007816142  -0.0021150938
 1  4   0.0021458027   0.0001192634   0.0000261855  -0.0014903153  -0.0039818623
 1  5  -0.0040326430  -0.2468213051  -0.0461735340  -0.1311193706  -0.0911157123
 1  6  -0.0068209575   0.0311077547  -0.0029079084  -0.0053540910  -0.0011365525
 1  7   0.0017383480   0.0025600286   0.0009483856  -0.0001352664  -0.0000357598
 1  8   0.0004318131  -0.0080287817  -0.0379682446  -0.0001355477   0.0019817182
 1  9   0.0014394176   0.0008762002  -0.0041655234  -0.0021078900  -0.0037582734
 1 10  -0.0948963544   0.0105761891  -0.0201088442   0.0000948999   0.0001977069
 1 11  -0.0000414604   0.0005714523  -0.0012428317   0.0001559640  -0.0002263318
 1 12   0.0017519813   0.0000165358   0.0003214448  -0.0011918806   0.0009916110
 1 13   0.0000612789  -0.0038678011   0.0010420781  -0.0010680032   0.0008901596
 1 14   0.0006754328   0.0002018487  -0.0001290599   0.0001169123   0.0064919856
 1 15   0.0017782393  -0.0098148495
 2  1   0.0487146916   0.5869144960   0.0296679787   0.0254889925  -0.0797605823
 2  2  -0.0168695417  -0.0099548888   0.0138814928   0.0094708261   0.0377014405
 2  3  -0.0356089394  -0.0053413594  -0.0079167549   0.0033903064   0.0036111940
 2  4   0.0014771286  -0.0001048460   0.0003712769  -0.0077540543  -0.0049675912
 2  5  -0.0032573572  -0.0547181164  -0.0735435403  -0.0439531388   0.0075903872
 2  6  -0.1089910015  -0.0027151791  -0.0049855884   0.0070585901   0.0060408377
 2  7   0.0069919737  -0.0026848714  -0.0003861054  -0.0003256940  -0.0004717379
 2  8  -0.0002009077  -0.0212596047  -0.0393666280  -0.0109261188   0.0052132210
 2  9   0.0044798446   0.0038794372   0.0008649532  -0.0002076641   0.0011237239
 2 10  -0.0175530804  -0.2471634418  -0.0266042548  -0.0000902262  -0.0002034299
 2 11  -0.0000203663   0.0007339231   0.0016140098  -0.0000931927   0.0005823904
 2 12   0.0030667453  -0.0022326951   0.0003547850  -0.0030599550   0.0026135153
 2 13  -0.0024378717  -0.0076916732   0.0018488881  -0.0018788129   0.0020767923
 2 14  -0.0001757057  -0.0009748683  -0.0003419701   0.0002327954  -0.0058643260
 2 15  -0.0183144053   0.0539154494
 3  1   0.1143620592   0.0296679787   0.6179067781   0.0232867023  -0.0257003746
 3  2  -0.0988848907  -0.0180986483   0.0137097492   0.0143818578  -0.0049198028
 3  3   0.0031060970  -0.0077320063   0.0360940984  -0.0147868862  -0.0096630300
 3  4  -0.0023297212   0.0004031549  -0.0036400725  -0.0068152284  -0.0019499159
 3  5  -0.0045391308  -0.1326942488  -0.0406599410  -0.1565424912   0.0205327261
 3  6   0.0557258705  -0.2481285674   0.0019849343   0.0010327229   0.0002787361
 3  7  -0.0003620604   0.0001002740  -0.0011049123   0.0006826594   0.0004138083
 3  8  -0.0004699073  -0.0021623233  -0.0295418414   0.0072279375  -0.0013187398
 3  9  -0.0021867370  -0.0038705233  -0.0050606722  -0.0030703183  -0.0046988692
 3 10  -0.0212993907   0.0089915595  -0.0888524377   0.0001564964   0.0002298849
 3 11  -0.0000346293   0.0001554828  -0.0016933235   0.0004924876   0.0006404718
 3 12   0.0012992553  -0.0009723283   0.0000709503   0.0000282496   0.0013402353
 3 13   0.0004828224   0.0029167617  -0.0009086222  -0.0017007865   0.0005468772
 3 14   0.0007533702   0.0001503017   0.0000589817   0.0000860619  -0.0018380829
 3 15   0.0013581124  -0.0124250463
 4  1  -0.1899652754   0.0254889925   0.0232867023   0.5751721464  -0.0134051748
 4  2  -0.0332522310  -0.1398826782  -0.0162703032  -0.0453707477  -0.1053334407
 4  3  -0.0373524810   0.0155715352  -0.0735551243  -0.0029786602   0.0420052333
 4  4   0.0020506318  -0.0007453294  -0.0001569682  -0.0511113023  -0.0130360895
 4  5  -0.0202165091  -0.0270001332   0.0145852172   0.0126989124  -0.0062254131
 4  6   0.0019059376   0.0108578192   0.0019881540  -0.0075151490   0.0016861454
 4  7   0.0024451852   0.0045714632   0.0001971015   0.0001600814   0.0005320883
 4  8  -0.0001084471   0.0072861462   0.0011336959   0.0035060437  -0.0007283781
 4  9  -0.0002116204  -0.0004481712  -0.0009046277   0.0000440348  -0.0002674442
 4 10   0.0066803094  -0.0098294120  -0.0064677423  -0.0001082913   0.0003638567
 4 11  -0.0000249098  -0.0000617467  -0.0005236431   0.0000735639  -0.0004276159
 4 12   0.0001341814   0.0000009636   0.0001890460   0.0004237689  -0.0003666880
 4 13   0.0051528956   0.0474923993  -0.0091908375  -0.0059138466   0.0048865148
 4 14   0.0027581354   0.0007668968   0.0008001857   0.0004348943  -0.0006736192
 4 15  -0.0004944736   0.0027936459
 5  1   0.0286919833  -0.0797605823  -0.0257003746  -0.0134051748   0.5692011462
 5  2  -0.0254958253  -0.0358132832  -0.0993144477  -0.0283206855   0.0216238677
 5  3  -0.2410855863   0.0295659519  -0.0038947055  -0.0650186207   0.0403456091
 5  4   0.0078291824   0.0034773778   0.0075544887   0.0206484583   0.0021188641
 5  5   0.0085760213  -0.0107391271   0.0074067696   0.0022316557  -0.0074752631
 5  6   0.0000354371   0.0120590604  -0.0335574939  -0.0170050300  -0.0237025482
 5  7  -0.0000103073  -0.0067988480   0.0016391691  -0.0002519005   0.0006948580
 5  8   0.0003970111   0.0052792338   0.0005487197  -0.0011738284  -0.0004808561
 5  9  -0.0002713754  -0.0002150516  -0.0005702172  -0.0003579976   0.0000052887
 5 10   0.0320146355  -0.0438551616  -0.0085938290  -0.0002125819   0.0004846992
 5 11   0.0000147662  -0.0000343938   0.0000421950   0.0001244676  -0.0002370010
 5 12   0.0005942608   0.0000568420   0.0004165433  -0.0002460587  -0.0001720887
 5 13  -0.0087216244  -0.0303511123   0.0090928460   0.0041448433  -0.0027656818
 5 14  -0.0010956308  -0.0008704248  -0.0005727366  -0.0015836901  -0.0043743932
 5 15   0.0027989116   0.0043903744
 6  1   0.0095706798  -0.0168695417  -0.0988848907  -0.0332522310  -0.0254958253
 6  2   0.7027313251  -0.0563634074  -0.0228843605  -0.1434095039   0.0082815945
 6  3   0.0364243367  -0.0822625362   0.0424024419   0.0386941255  -0.3375559407
 6  4  -0.0321543011  -0.0170105136  -0.0226999250   0.0181525155   0.0062763232
 6  5   0.0081803727  -0.0209625032   0.0092704481   0.0100819870   0.0421087801
 6  6  -0.0087305756  -0.0423370691   0.0056031421  -0.0015193677   0.0025178136
 6  7   0.0019809615   0.0028454629   0.0009593628   0.0009458079   0.0020127640
 6  8  -0.0002023781  -0.0003116548  -0.0016907848  -0.0029718879   0.0002802927
 6  9  -0.000053 hondo
o  4,7,9,11,16,19                                                              \
   basis =o 3-21g hondo
h  5-6,8,12,14,17-18,20-24                                                     \
   basis =h 3-21g hondo
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=8850
   natoms=24
   nshell=84
   nbf(CAO)=132
   nbf(AO)=132
   dim(trafo[SAO<-->AO/CAO])=132
   rhfshells=1
$scfmo    file=mos
$closed shells
 a       1-48                                   ( 2 )
$scfiterlimit       30
$scfconv        7
$thize     0.10000000E-04
$thime        5
$scfdamp   start=0.500  step=0.050  min=0.100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$optimize
   internal   on
   redundant  on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=33  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit off
   diag=default
$energy    file=energy
$grad    file=gradient
$forceapprox    file=forceapprox
$lock off
$last step     force
$last SCF energy change = -.83479165E-06
$maximum norm of cartesian gradient = 0.49949058E-03
$maximum norm of internal gradient = 0.34517127E-03
$orbital_max_rnorm 0.17669727373131E-04
$maxcor 500
$dipole
  x     0.60010931560956    y    -0.05375798215498    z    -0.03181229927210
   | dipole | =    1.5335783488  debye
$hessian (projected)
 1  1   0.6660519054   0.0487146916   0.1143620592  -0.1899652754   0.0286919833
 1  2   0.0095706798  -0.0425841461   0.0182574601   0.0105777036   0.0051840965
 1  3  -0.0053215941   0.0013633194  -0.0014398575  -0.0007816142  -0.0021150938
 1  4   0.0021458027   0.0001192634   0.0000261855  -0.0014903153  -0.0039818623
 1  5  -0.0040326430  -0.2468213051  -0.0461735340  -0.1311193706  -0.0911157123
 1  6  -0.0068209575   0.0311077547  -0.0029079084  -0.0053540910  -0.0011365525
 1  7   0.0017383480   0.0025600286   0.0009483856  -0.0001352664  -0.0000357598
 1  8   0.0004318131  -0.0080287817  -0.0379682446  -0.0001355477   0.0019817182
 1  9   0.0014394176   0.0008762002  -0.0041655234  -0.0021078900  -0.0037582734
 1 10  -0.0948963544   0.0105761891  -0.0201088442   0.0000948999   0.0001977069
 1 11  -0.0000414604   0.0005714523  -0.0012428317   0.0001559640  -0.0002263318
 1 12   0.0017519813   0.0000165358   0.0003214448  -0.0011918806   0.0009916110
 1 13   0.0000612789  -0.0038678011   0.0010420781  -0.0010680032   0.0008901596
 1 14   0.0006754328   0.0002018487  -0.0001290599   0.0001169123   0.0064919856
 1 15   0.0017782393  -0.0098148495
 2  1   0.0487146916   0.5869144960   0.0296679787   0.0254889925  -0.0797605823
 2  2  -0.0168695417  -0.0099548888   0.0138814928   0.0094708261   0.0377014405
 2  3  -0.0356089394  -0.0053413594  -0.0079167549   0.0033903064   0.0036111940
 2  4   0.0014771286  -0.0001048460   0.0003712769  -0.0077540543  -0.0049675912
 2  5  -0.0032573572  -0.0547181164  -0.0735435403  -0.0439531388   0.0075903872
 2  6  -0.1089910015  -0.0027151791  -0.0049855884   0.0070585901   0.0060408377
 2  7   0.0069919737  -0.0026848714  -0.0003861054  -0.0003256940  -0.0004717379
 2  8  -0.0002009077  -0.0212596047  -0.0393666280  -0.0109261188   0.0052132210
 2  9   0.0044798446   0.0038794372   0.0008649532  -0.0002076641   0.0011237239
 2 10  -0.0175530804  -0.2471634418  -0.0266042548  -0.0000902262  -0.0002034299
 2 11  -0.0000203663   0.0007339231   0.0016140098  -0.0000931927   0.0005823904
 2 12   0.0030667453  -0.0022326951   0.0003547850  -0.0030599550   0.0026135153
 2 13  -0.0024378717  -0.0076916732   0.0018488881  -0.0018788129   0.0020767923
 2 14  -0.0001757057  -0.0009748683  -0.0003419701   0.0002327954  -0.0058643260
 2 15  -0.0183144053   0.0539154494
 3  1   0.1143620592   0.0296679787   0.6179067781   0.0232867023  -0.0257003746
 3  2  -0.0988848907  -0.0180986483   0.0137097492   0.0143818578  -0.0049198028
 3  3   0.0031060970  -0.0077320063   0.0360940984  -0.0147868862  -0.0096630300
 3  4  -0.0023297212   0.0004031549  -0.0036400725  -0.0068152284  -0.0019499159
 3  5  -0.0045391308  -0.1326942488  -0.0406599410  -0.1565424912   0.0205327261
 3  6   0.0557258705  -0.2481285674   0.0019849343   0.0010327229   0.0002787361
 3  7  -0.0003620604   0.0001002740  -0.0011049123   0.0006826594   0.0004138083
 3  8  -0.0004699073  -0.0021623233  -0.0295418414   0.0072279375  -0.0013187398
 3  9  -0.0021867370  -0.0038705233  -0.0050606722  -0.0030703183  -0.0046988692
 3 10  -0.0212993907   0.0089915595  -0.0888524377   0.0001564964   0.0002298849
 3 11  -0.0000346293   0.0001554828  -0.0016933235   0.0004924876   0.0006404718
 3 12   0.0012992553  -0.0009723283   0.0000709503   0.0000282496   0.0013402353
 3 13   0.0004828224   0.0029167617  -0.0009086222  -0.0017007865   0.0005468772
 3 14   0.0007533702   0.0001503017   0.0000589817   0.0000860619  -0.0018380829
 3 15   0.0013581124  -0.0124250463
 4  1  -0.1899652754   0.0254889925   0.0232867023   0.5751721464  -0.0134051748
 4  2  -0.0332522310  -0.1398826782  -0.0162703032  -0.0453707477  -0.1053334407
 4  3  -0.0373524810   0.0155715352  -0.0735551243  -0.0029786602   0.0420052333
 4  4   0.0020506318  -0.0007453294  -0.0001569682  -0.0511113023  -0.0130360895
 4  5  -0.0202165091  -0.0270001332   0.0145852172   0.0126989124  -0.0062254131
 4  6   0.0019059376   0.0108578192   0.0019881540  -0.0075151490   0.0016861454
 4  7   0.0024451852   0.0045714632   0.0001971015   0.0001600814   0.0005320883
 4  8  -0.0001084471   0.0072861462   0.0011336959   0.0035060437  -0.0007283781
 4  9  -0.0002116204  -0.0004481712  -0.0009046277   0.0000440348  -0.0002674442
 4 10   0.0066803094  -0.0098294120  -0.0064677423  -0.0001082913   0.0003638567
 4 11  -0.0000249098  -0.0000617467  -0.0005236431   0.0000735639  -0.0004276159
 4 12   0.0001341814   0.0000009636   0.0001890460   0.0004237689  -0.0003666880
 4 13   0.0051528956   0.0474923993  -0.0091908375  -0.0059138466   0.0048865148
 4 14   0.0027581354   0.0007668968   0.0008001857   0.0004348943  -0.0006736192
 4 15  -0.0004944736   0.0027936459
 5  1   0.0286919833  -0.0797605823  -0.0257003746  -0.0134051748   0.5692011462
 5  2  -0.0254958253  -0.0358132832  -0.0993144477  -0.0283206855   0.0216238677
 5  3  -0.2410855863   0.0295659519  -0.0038947055  -0.0650186207   0.0403456091
 5  4   0.0078291824   0.0034773778   0.0075544887   0.0206484583   0.0021188641
 5  5   0.0085760213  -0.0107391271   0.0074067696   0.0022316557  -0.0074752631
 5  6   0.0000354371   0.0120590604  -0.0335574939  -0.0170050300  -0.0237025482
 5  7  -0.0000103073  -0.0067988480   0.0016391691  -0.0002519005   0.0006948580
 5  8   0.0003970111   0.0052792338   0.0005487197  -0.0011738284  -0.0004808561
 5  9  -0.0002713754  -0.0002150516  -0.0005702172  -0.0003579976   0.0000052887
 5 10   0.0320146355  -0.0438551616  -0.0085938290  -0.0002125819   0.0004846992
 5 11   0.0000147662  -0.0000343938   0.0000421950   0.0001244676  -0.0002370010
 5 12   0.0005942608   0.0000568420   0.0004165433  -0.0002460587  -0.0001720887
 5 13  -0.0087216244  -0.0303511123   0.0090928460   0.0041448433  -0.0027656818
 5 14  -0.0010956308  -0.0008704248  -0.0005727366  -0.0015836901  -0.0043743932
 5 15   0.0027989116   0.0043903744
 6  1   0.0095706798  -0.0168695417  -0.0988848907  -0.0332522310  -0.0254958253
 6  2   0.7027313251  -0.0563634074  -0.0228843605  -0.1434095039   0.0082815945
 6  3   0.0364243367  -0.0822625362   0.0424024419   0.0386941255  -0.3375559407
 6  4  -0.0321543011  -0.0170105136  -0.0226999250   0.0181525155   0.0062763232
 6  5   0.0081803727  -0.0209625032   0.0092704481   0.0100819870   0.0421087801
 6  6  -0.0087305756  -0.0423370691   0.0056031421  -0.0015193677   0.0025178136
 6  7   0.0019809615   0.0028454629   0.0009593628   0.0009458079   0.0020127640
 6  8  -0.0002023781  -0.0003116548  -0.0016907848  -0.0029718879   0.0002802927
 6  9  -0.000053 hondo
o  4,7,9,11,16,19                                                              \
   basis =o 3-21g hondo
h  5-6,8,12,14,17-18,20-24                                                     \
   basis =h 3-21g hondo
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=8850
   natoms=24
   nshell=84
   nbf(CAO)=132
   nbf(AO)=132
   dim(trafo[SAO<-->AO/CAO])=132
   rhfshells=1
$scfmo    file=mos
$closed shells
 a       1-48                                   ( 2 )
$scfiterlimit       30
$scfconv        7
$thize     0.10000000E-04
$thime        5
$scfdamp   start=0.500  step=0.050  min=0.100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$optimize
   internal   on
   redundant  on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=33  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit off
   diag=default
$energy    file=energy
$grad    file=gradient
$forceapprox    file=forceapprox
$lock off
$last step     force
$last SCF energy change = -.83479165E-06
$maximum norm of cartesian gradient = 0.49949058E-03
$maximum norm of internal gradient = 0.34517127E-03
$orbital_max_rnorm 0.17669727373131E-04
$maxcor 500
$dipole
  x     0.60010931560956    y    -0.05375798215498    z    -0.03181229927210
   | dipole | =    1.5335783488  debye
$hessian (projected)
 1  1   0.6660519054   0.0487146916   0.1143620592  -0.1899652754   0.0286919833
 1  2   0.0095706798  -0.0425841461   0.0182574601   0.0105777036   0.0051840965
 1  3  -0.0053215941   0.0013633194  -0.0014398575  -0.0007816142  -0.0021150938
 1  4   0.0021458027   0.0001192634   0.0000261855  -0.0014903153  -0.0039818623
 1  5  -0.0040326430  -0.2468213051  -0.0461735340  -0.1311193706  -0.0911157123
 1  6  -0.0068209575   0.0311077547  -0.0029079084  -0.0053540910  -0.0011365525
 1  7   0.0017383480   0.0025600286   0.0009483856  -0.0001352664  -0.0000357598
 1  8   0.0004318131  -0.0080287817  -0.0379682446  -0.0001355477   0.0019817182
 1  9   0.0014394176   0.0008762002  -0.0041655234  -0.0021078900  -0.0037582734
 1 10  -0.0948963544   0.0105761891  -0.0201088442   0.0000948999   0.0001977069
 1 11  -0.0000414604   0.0005714523  -0.0012428317   0.0001559640  -0.0002263318
 1 12   0.0017519813   0.0000165358   0.0003214448  -0.0011918806   0.0009916110
 1 13   0.0000612789  -0.0038678011   0.0010420781  -0.0010680032   0.0008901596
 1 14   0.0006754328   0.0002018487  -0.0001290599   0.0001169123   0.0064919856
 1 15   0.0017782393  -0.0098148495
 2  1   0.0487146916   0.5869144960   0.0296679787   0.0254889925  -0.0797605823
 2  2  -0.0168695417  -0.0099548888   0.0138814928   0.0094708261   0.0377014405
 2  3  -0.0356089394  -0.0053413594  -0.0079167549   0.0033903064   0.0036111940
 2  4   0.0014771286  -0.0001048460   0.0003712769  -0.0077540543  -0.0049675912
 2  5  -0.0032573572  -0.0547181164  -0.0735435403  -0.0439531388   0.0075903872
 2  6  -0.1089910015  -0.0027151791  -0.0049855884   0.0070585901   0.0060408377
 2  7   0.0069919737  -0.0026848714  -0.0003861054  -0.0003256940  -0.0004717379
 2  8  -0.0002009077  -0.0212596047  -0.0393666280  -0.0109261188   0.0052132210
 2  9   0.0044798446   0.0038794372   0.0008649532  -0.0002076641   0.0011237239
 2 10  -0.0175530804  -0.2471634418  -0.0266042548  -0.0000902262  -0.0002034299
 2 11  -0.0000203663   0.0007339231   0.0016140098  -0.0000931927   0.0005823904
 2 12   0.0030667453  -0.0022326951   0.0003547850  -0.0030599550   0.0026135153
 2 13  -0.0024378717  -0.0076916732   0.0018488881  -0.0018788129   0.0020767923
 2 14  -0.0001757057  -0.0009748683  -0.0003419701   0.0002327954  -0.0058643260
 2 15  -0.0183144053   0.0539154494
 3  1   0.1143620592   0.0296679787   0.6179067781   0.0232867023  -0.0257003746
 3  2  -0.0988848907  -0.0180986483   0.0137097492   0.0143818578  -0.0049198028
 3  3   0.0031060970  -0.0077320063   0.0360940984  -0.0147868862  -0.0096630300
 3  4  -0.0023297212   0.0004031549  -0.0036400725  -0.0068152284  -0.0019499159
 3  5  -0.0045391308  -0.1326942488  -0.0406599410  -0.1565424912   0.0205327261
 3  6   0.0557258705  -0.2481285674   0.0019849343   0.0010327229   0.0002787361
 3  7  -0.0003620604   0.0001002740  -0.0011049123   0.0006826594   0.0004138083
 3  8  -0.0004699073  -0.0021623233  -0.0295418414   0.0072279375  -0.0013187398
 3  9  -0.0021867370  -0.0038705233  -0.0050606722  -0.0030703183  -0.0046988692
 3 10  -0.0212993907   0.0089915595  -0.0888524377   0.0001564964   0.0002298849
 3 11  -0.0000346293   0.0001554828  -0.0016933235   0.0004924876   0.0006404718
 3 12   0.0012992553  -0.0009723283   0.0000709503   0.0000282496   0.0013402353
 3 13   0.0004828224   0.0029167617  -0.0009086222  -0.0017007865   0.0005468772
 3 14   0.0007533702   0.0001503017   0.0000589817   0.0000860619  -0.0018380829
 3 15   0.0013581124  -0.0124250463
 4  1  -0.1899652754   0.0254889925   0.0232867023   0.5751721464  -0.0134051748
 4  2  -0.0332522310  -0.1398826782  -0.0162703032  -0.0453707477  -0.1053334407
 4  3  -0.0373524810   0.0155715352  -0.0735551243  -0.0029786602   0.0420052333
 4  4   0.0020506318  -0.0007453294  -0.0001569682  -0.0511113023  -0.0130360895
 4  5  -0.0202165091  -0.0270001332   0.0145852172   0.0126989124  -0.0062254131
 4  6   0.0019059376   0.0108578192   0.0019881540  -0.0075151490   0.0016861454
 4  7   0.0024451852   0.0045714632   0.0001971015   0.0001600814   0.0005320883
 4  8  -0.0001084471   0.0072861462   0.0011336959   0.0035060437  -0.0007283781
 4  9  -0.0002116204  -0.0004481712  -0.0009046277   0.0000440348  -0.0002674442
 4 10   0.0066803094  -0.0098294120  -0.0064677423  -0.0001082913   0.0003638567
 4 11  -0.0000249098  -0.0000617467  -0.0005236431   0.0000735639  -0.0004276159
 4 12   0.0001341814   0.0000009636   0.0001890460   0.0004237689  -0.0003666880
 4 13   0.0051528956   0.0474923993  -0.0091908375  -0.0059138466   0.0048865148
 4 14   0.0027581354   0.0007668968   0.0008001857   0.0004348943  -0.0006736192
 4 15  -0.0004944736   0.0027936459
 5  1   0.0286919833  -0.0797605823  -0.0257003746  -0.0134051748   0.5692011462
 5  2  -0.0254958253  -0.0358132832  -0.0993144477  -0.0283206855   0.0216238677
 5  3  -0.2410855863   0.0295659519  -0.0038947055  -0.0650186207   0.0403456091
 5  4   0.0078291824   0.0034773778   0.0075544887   0.0206484583   0.0021188641
 5  5   0.0085760213  -0.0107391271   0.0074067696   0.0022316557  -0.0074752631
 5  6   0.0000354371   0.0120590604  -0.0335574939  -0.0170050300  -0.0237025482
 5  7  -0.0000103073  -0.0067988480   0.0016391691  -0.0002519005   0.0006948580
 5  8   0.0003970111   0.0052792338   0.0005487197  -0.0011738284  -0.0004808561
 5  9  -0.0002713754  -0.0002150516  -0.0005702172  -0.0003579976   0.0000052887
 5 10   0.0320146355  -0.0438551616  -0.0085938290  -0.0002125819   0.0004846992
 5 11   0.0000147662  -0.0000343938   0.0000421950   0.0001244676  -0.0002370010
 5 12   0.0005942608   0.0000568420   0.0004165433  -0.0002460587  -0.0001720887
 5 13  -0.0087216244  -0.0303511123   0.0090928460   0.0041448433  -0.0027656818
 5 14  -0.0010956308  -0.0008704248  -0.0005727366  -0.0015836901  -0.0043743932
 5 15   0.0027989116   0.0043903744
 6  1   0.0095706798  -0.0168695417  -0.0988848907  -0.0332522310  -0.0254958253
 6  2   0.7027313251  -0.0563634074  -0.0228843605  -0.1434095039   0.0082815945
 6  3   0.0364243367  -0.0822625362   0.0424024419   0.0386941255  -0.3375559407
 6  4  -0.0321543011  -0.0170105136  -0.0226999250   0.0181525155   0.0062763232
 6  5   0.0081803727  -0.0209625032   0.0092704481   0.0100819870   0.0421087801
 6  6  -0.0087305756  -0.0423370691   0.0056031421  -0.0015193677   0.0025178136
 6  7   0.0019809615   0.0028454629   0.0009593628   0.0009458079   0.0020127640
 6  8  -0.0002023781  -0.0003116548  -0.0016907848  -0.0029718879   0.0002802927
 6  9  -0.000053 hondo
o  4,7,9,11,16,19                                                              \
   basis =o 3-21g hondo
h  5-6,8,12,14,17-18,20-24                                                     \
   basis =h 3-21g hondo
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=8850
   natoms=24
   nshell=84
   nbf(CAO)=132
   nbf(AO)=132
   dim(trafo[SAO<-->AO/CAO])=132
   rhfshells=1
$scfmo    file=mos
$closed shells
 a       1-48                                   ( 2 )
$scfiterlimit       30
$scfconv        7
$thize     0.10000000E-04
$thime        5
$scfdamp   start=0.500  step=0.050  min=0.100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$optimize
   internal   on
   redundant  on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=33  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit off
   diag=default
$energy    file=energy
$grad    file=gradient
$forceapprox    file=forceapprox
$lock off
$last step     force
$last SCF energy change = -.83479165E-06
$maximum norm of cartesian gradient = 0.49949058E-03
$maximum norm of internal gradient = 0.34517127E-03
$orbital_max_rnorm 0.17669727373131E-04
$maxcor 500
$dipole
  x     0.60010931560956    y    -0.05375798215498    z    -0.03181229927210
   | dipole | =    1.5335783488  debye
$hessian (projected)
 1  1   0.6660519054   0.0487146916   0.1143620592  -0.1899652754   0.0286919833
 1  2   0.0095706798  -0.0425841461   0.0182574601   0.0105777036   0.0051840965
 1  3  -0.0053215941   0.0013633194  -0.0014398575  -0.0007816142  -0.0021150938
 1  4   0.0021458027   0.0001192634   0.0000261855  -0.0014903153  -0.0039818623
 1  5  -0.0040326430  -0.2468213051  -0.0461735340  -0.1311193706  -0.0911157123
 1  6  -0.0068209575   0.0311077547  -0.0029079084  -0.0053540910  -0.0011365525
 1  7   0.0017383480   0.0025600286   0.0009483856  -0.0001352664  -0.0000357598
 1  8   0.0004318131  -0.0080287817  -0.0379682446  -0.0001355477   0.0019817182
 1  9   0.0014394176   0.0008762002  -0.0041655234  -0.0021078900  -0.0037582734
 1 10  -0.0948963544   0.0105761891  -0.0201088442   0.0000948999   0.0001977069
 1 11  -0.0000414604   0.0005714523  -0.0012428317   0.0001559640  -0.0002263318
 1 12   0.0017519813   0.0000165358   0.0003214448  -0.0011918806   0.0009916110
 1 13   0.0000612789  -0.0038678011   0.0010420781  -0.0010680032   0.0008901596
 1 14   0.0006754328   0.0002018487  -0.0001290599   0.0001169123   0.0064919856
 1 15   0.0017782393  -0.0098148495
 2  1   0.0487146916   0.5869144960   0.0296679787   0.0254889925  -0.0797605823
 2  2  -0.0168695417  -0.0099548888   0.0138814928   0.0094708261   0.0377014405
 2  3  -0.0356089394  -0.0053413594  -0.0079167549   0.0033903064   0.0036111940
 2  4   0.0014771286  -0.0001048460   0.0003712769  -0.0077540543  -0.0049675912
 2  5  -0.0032573572  -0.0547181164  -0.0735435403  -0.0439531388   0.0075903872
 2  6  -0.1089910015  -0.0027151791  -0.0049855884   0.0070585901   0.0060408377
 2  7   0.0069919737  -0.0026848714  -0.0003861054  -0.0003256940  -0.0004717379
 2  8  -0.0002009077  -0.0212596047  -0.0393666280  -0.0109261188   0.0052132210
 2  9   0.0044798446   0.0038794372   0.0008649532  -0.0002076641   0.0011237239
 2 10  -0.0175530804  -0.2471634418  -0.0266042548  -0.0000902262  -0.0002034299
 2 11  -0.0000203663   0.0007339231   0.0016140098  -0.0000931927   0.0005823904
 2 12   0.0030667453  -0.0022326951   0.0003547850  -0.0030599550   0.0026135153
 2 13  -0.0024378717  -0.0076916732   0.0018488881  -0.0018788129   0.0020767923
 2 14  -0.0001757057  -0.0009748683  -0.0003419701   0.0002327954  -0.0058643260
 2 15  -0.0183144053   0.0539154494
 3  1   0.1143620592   0.0296679787   0.6179067781   0.0232867023  -0.0257003746
 3  2  -0.0988848907  -0.0180986483   0.0137097492   0.0143818578  -0.0049198028
 3  3   0.0031060970  -0.0077320063   0.0360940984  -0.0147868862  -0.0096630300
 3  4  -0.0023297212   0.0004031549  -0.0036400725  -0.0068152284  -0.0019499159
 3  5  -0.0045391308  -0.1326942488  -0.0406599410  -0.1565424912   0.0205327261
 3  6   0.0557258705  -0.2481285674   0.0019849343   0.0010327229   0.0002787361
 3  7  -0.0003620604   0.0001002740  -0.0011049123   0.0006826594   0.0004138083
 3  8  -0.0004699073  -0.0021623233  -0.0295418414   0.0072279375  -0.0013187398
 3  9  -0.0021867370  -0.0038705233  -0.0050606722  -0.0030703183  -0.0046988692
 3 10  -0.0212993907   0.0089915595  -0.0888524377   0.0001564964   0.0002298849
 3 11  -0.0000346293   0.0001554828  -0.0016933235   0.0004924876   0.0006404718
 3 12   0.0012992553  -0.0009723283   0.0000709503   0.0000282496   0.0013402353
 3 13   0.0004828224   0.0029167617  -0.0009086222  -0.0017007865   0.0005468772
 3 14   0.0007533702   0.0001503017   0.0000589817   0.0000860619  -0.0018380829
 3 15   0.0013581124  -0.0124250463
 4  1  -0.1899652754   0.0254889925   0.0232867023   0.5751721464  -0.0134051748
 4  2  -0.0332522310  -0.1398826782  -0.0162703032  -0.0453707477  -0.1053334407
 4  3  -0.0373524810   0.0155715352  -0.0735551243  -0.0029786602   0.0420052333
 4  4   0.0020506318  -0.0007453294  -0.0001569682  -0.0511113023  -0.0130360895
 4  5  -0.0202165091  -0.0270001332   0.0145852172   0.0126989124  -0.0062254131
 4  6   0.0019059376   0.0108578192   0.0019881540  -0.0075151490   0.0016861454
 4  7   0.0024451852   0.0045714632   0.0001971015   0.0001600814   0.0005320883
 4  8  -0.0001084471   0.0072861462   0.0011336959   0.0035060437  -0.0007283781
 4  9  -0.0002116204  -0.0004481712  -0.0009046277   0.0000440348  -0.0002674442
 4 10   0.0066803094  -0.0098294120  -0.0064677423  -0.0001082913   0.0003638567
 4 11  -0.0000249098  -0.0000617467  -0.0005236431   0.0000735639  -0.0004276159
 4 12   0.0001341814   0.0000009636   0.0001890460   0.0004237689  -0.0003666880
 4 13   0.0051528956   0.0474923993  -0.0091908375  -0.0059138466   0.0048865148
 4 14   0.0027581354   0.0007668968   0.0008001857   0.0004348943  -0.0006736192
 4 15  -0.0004944736   0.0027936459
 5  1   0.0286919833  -0.0797605823  -0.0257003746  -0.0134051748   0.5692011462
 5  2  -0.0254958253  -0.0358132832  -0.0993144477  -0.0283206855   0.0216238677
 5  3  -0.2410855863   0.0295659519  -0.0038947055  -0.0650186207   0.0403456091
 5  4   0.0078291824   0.0034773778   0.0075544887   0.0206484583   0.0021188641
 5  5   0.0085760213  -0.0107391271   0.0074067696   0.0022316557  -0.0074752631
 5  6   0.0000354371   0.0120590604  -0.0335574939  -0.0170050300  -0.0237025482
 5  7  -0.0000103073  -0.0067988480   0.0016391691  -0.0002519005   0.0006948580
 5  8   0.0003970111   0.0052792338   0.0005487197  -0.0011738284  -0.0004808561
 5  9  -0.0002713754  -0.0002150516  -0.0005702172  -0.0003579976   0.0000052887
 5 10   0.0320146355  -0.0438551616  -0.0085938290  -0.0002125819   0.0004846992
 5 11   0.0000147662  -0.0000343938   0.0000421950   0.0001244676  -0.0002370010
 5 12   0.0005942608   0.0000568420   0.0004165433  -0.0002460587  -0.0001720887
 5 13  -0.0087216244  -0.0303511123   0.0090928460   0.0041448433  -0.0027656818
 5 14  -0.0010956308  -0.0008704248  -0.0005727366  -0.0015836901  -0.0043743932
 5 15   0.0027989116   0.0043903744
 6  1   0.0095706798  -0.0168695417  -0.0988848907  -0.0332522310  -0.0254958253
 6  2   0.7027313251  -0.0563634074  -0.0228843605  -0.1434095039   0.0082815945
 6  3   0.0364243367  -0.0822625362   0.0424024419   0.0386941255  -0.3375559407
 6  4  -0.0321543011  -0.0170105136  -0.0226999250   0.0181525155   0.0062763232
 6  5   0.0081803727  -0.0209625032   0.0092704481   0.0100819870   0.0421087801
 6  6  -0.0087305756  -0.0423370691   0.0056031421  -0.0015193677   0.0025178136
 6  7   0.0019809615   0.0028454629   0.0009593628   0.0009458079   0.0020127640
 6  8  -0.0002023781  -0.0003116548  -0.0016907848  -0.0029718879   0.0002802927
 6  9  -0.000053 hondo
o  4,7,9,11,16,19                                                              \
   basis =o 3-21g hondo
h  5-6,8,12,14,17-18,20-24                                                     \
   basis =h 3-21g hondo
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=8850
   natoms=24
   nshell=84
   nbf(CAO)=132
   nbf(AO)=132
   dim(trafo[SAO<-->AO/CAO])=132
   rhfshells=1
$scfmo    file=mos
$closed shells
 a       1-48                                   ( 2 )
$scfiterlimit       30
$scfconv        7
$thize     0.10000000E-04
$thime        5
$scfdamp   start=0.500  step=0.050  min=0.100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$optimize
   internal   on
   redundant  on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=33  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit off
   diag=default
$energy    file=energy
$grad    file=gradient
$forceapprox    file=forceapprox
$lock off
$last step     force
$last SCF energy change = -.83479165E-06
$maximum norm of cartesian gradient = 0.49949058E-03
$maximum norm of internal gradient = 0.34517127E-03
$orbital_max_rnorm 0.17669727373131E-04
$maxcor 500
$dipole
  x     0.60010931560956    y    -0.05375798215498    z    -0.03181229927210
   | dipole | =    1.5335783488  debye
$hessian (projected)
 1  1   0.6660519054   0.0487146916   0.1143620592  -0.1899652754   0.0286919833
 1  2   0.0095706798  -0.0425841461   0.0182574601   0.0105777036   0.0051840965
 1  3  -0.0053215941   0.0013633194  -0.0014398575  -0.0007816142  -0.0021150938
 1  4   0.0021458027   0.0001192634   0.0000261855  -0.0014903153  -0.0039818623
 1  5  -0.0040326430  -0.2468213051  -0.0461735340  -0.1311193706  -0.0911157123
 1  6  -0.0068209575   0.0311077547  -0.0029079084  -0.0053540910  -0.0011365525
 1  7   0.0017383480   0.0025600286   0.0009483856  -0.0001352664  -0.0000357598
 1  8   0.0004318131  -0.0080287817  -0.0379682446  -0.0001355477   0.0019817182
 1  9   0.0014394176   0.0008762002  -0.0041655234  -0.0021078900  -0.0037582734
 1 10  -0.0948963544   0.0105761891  -0.0201088442   0.0000948999   0.0001977069
 1 11  -0.0000414604   0.0005714523  -0.0012428317   0.0001559640  -0.0002263318
 1 12   0.0017519813   0.0000165358   0.0003214448  -0.0011918806   0.0009916110
 1 13   0.0000612789  -0.0038678011   0.0010420781  -0.0010680032   0.0008901596
 1 14   0.0006754328   0.0002018487  -0.0001290599   0.0001169123   0.0064919856
 1 15   0.0017782393  -0.0098148495
 2  1   0.0487146916   0.5869144960   0.0296679787   0.0254889925  -0.0797605823
 2  2  -0.0168695417  -0.0099548888   0.0138814928   0.0094708261   0.0377014405
 2  3  -0.0356089394  -0.0053413594  -0.0079167549   0.0033903064   0.0036111940
 2  4   0.0014771286  -0.0001048460   0.0003712769  -0.0077540543  -0.0049675912
 2  5  -0.0032573572  -0.0547181164  -0.0735435403  -0.0439531388   0.0075903872
 2  6  -0.1089910015  -0.0027151791  -0.0049855884   0.0070585901   0.0060408377
 2  7   0.0069919737  -0.0026848714  -0.0003861054  -0.0003256940  -0.0004717379
 2  8  -0.0002009077  -0.0212596047  -0.0393666280  -0.0109261188   0.0052132210
 2  9   0.0044798446   0.0038794372   0.0008649532  -0.0002076641   0.0011237239
 2 10  -0.0175530804  -0.2471634418  -0.0266042548  -0.0000902262  -0.0002034299
 2 11  -0.0000203663   0.0007339231   0.0016140098  -0.0000931927   0.0005823904
 2 12   0.0030667453  -0.0022326951   0.0003547850  -0.0030599550   0.0026135153
 2 13  -0.0024378717  -0.0076916732   0.0018488881  -0.0018788129   0.0020767923
 2 14  -0.0001757057  -0.0009748683  -0.0003419701   0.0002327954  -0.0058643260
 2 15  -0.0183144053   0.0539154494
 3  1   0.1143620592   0.0296679787   0.6179067781   0.0232867023  -0.0257003746
 3  2  -0.0988848907  -0.0180986483   0.0137097492   0.0143818578  -0.0049198028
 3  3   0.0031060970  -0.0077320063   0.0360940984  -0.0147868862  -0.0096630300
 3  4  -0.0023297212   0.0004031549  -0.0036400725  -0.0068152284  -0.0019499159
 3  5  -0.0045391308  -0.1326942488  -0.0406599410  -0.1565424912   0.0205327261
 3  6   0.0557258705  -0.2481285674   0.0019849343   0.0010327229   0.0002787361
 3  7  -0.0003620604   0.0001002740  -0.0011049123   0.0006826594   0.0004138083
 3  8  -0.0004699073  -0.0021623233  -0.0295418414   0.0072279375  -0.0013187398
 3  9  -0.0021867370  -0.0038705233  -0.0050606722  -0.0030703183  -0.0046988692
 3 10  -0.0212993907   0.0089915595  -0.0888524377   0.0001564964   0.0002298849
 3 11  -0.0000346293   0.0001554828  -0.0016933235   0.0004924876   0.0006404718
 3 12   0.0012992553  -0.0009723283   0.0000709503   0.0000282496   0.0013402353
 3 13   0.0004828224   0.0029167617  -0.0009086222  -0.0017007865   0.0005468772
 3 14   0.0007533702   0.0001503017   0.0000589817   0.0000860619  -0.0018380829
 3 15   0.0013581124  -0.0124250463
 4  1  -0.1899652754   0.0254889925   0.0232867023   0.5751721464  -0.0134051748
 4  2  -0.0332522310  -0.1398826782  -0.0162703032  -0.0453707477  -0.1053334407
 4  3  -0.0373524810   0.0155715352  -0.0735551243  -0.0029786602   0.0420052333
 4  4   0.0020506318  -0.0007453294  -0.0001569682  -0.0511113023  -0.0130360895
 4  5  -0.0202165091  -0.0270001332   0.0145852172   0.0126989124  -0.0062254131
 4  6   0.0019059376   0.0108578192   0.0019881540  -0.0075151490   0.0016861454
 4  7   0.0024451852   0.0045714632   0.0001971015   0.0001600814   0.0005320883
 4  8  -0.0001084471   0.0072861462   0.0011336959   0.0035060437  -0.0007283781
 4  9  -0.0002116204  -0.0004481712  -0.0009046277   0.0000440348  -0.0002674442
 4 10   0.0066803094  -0.0098294120  -0.0064677423  -0.0001082913   0.0003638567
 4 11  -0.0000249098  -0.0000617467  -0.0005236431   0.0000735639  -0.0004276159
 4 12   0.0001341814   0.0000009636   0.0001890460   0.0004237689  -0.0003666880
 4 13   0.0051528956   0.0474923993  -0.0091908375  -0.0059138466   0.0048865148
 4 14   0.0027581354   0.0007668968   0.0008001857   0.0004348943  -0.0006736192
 4 15  -0.0004944736   0.0027936459
 5  1   0.0286919833  -0.0797605823  -0.0257003746  -0.0134051748   0.5692011462
 5  2  -0.0254958253  -0.0358132832  -0.0993144477  -0.0283206855   0.0216238677
 5  3  -0.2410855863   0.0295659519  -0.0038947055  -0.0650186207   0.0403456091
 5  4   0.0078291824   0.0034773778   0.0075544887   0.0206484583   0.0021188641
 5  5   0.0085760213  -0.0107391271   0.0074067696   0.0022316557  -0.0074752631
 5  6   0.0000354371   0.0120590604  -0.0335574939  -0.0170050300  -0.0237025482
 5  7  -0.0000103073  -0.0067988480   0.0016391691  -0.0002519005   0.0006948580
 5  8   0.0003970111   0.0052792338   0.0005487197  -0.0011738284  -0.0004808561
 5  9  -0.0002713754  -0.0002150516  -0.0005702172  -0.0003579976   0.0000052887
 5 10   0.0320146355  -0.0438551616  -0.0085938290  -0.0002125819   0.0004846992
 5 11   0.0000147662  -0.0000343938   0.0000421950   0.0001244676  -0.0002370010
 5 12   0.0005942608   0.0000568420   0.0004165433  -0.0002460587  -0.0001720887
 5 13  -0.0087216244  -0.0303511123   0.0090928460   0.0041448433  -0.0027656818
 5 14  -0.0010956308  -0.0008704248  -0.0005727366  -0.0015836901  -0.0043743932
 5 15   0.0027989116   0.0043903744
 6  1   0.0095706798  -0.0168695417  -0.0988848907  -0.0332522310  -0.0254958253
 6  2   0.7027313251  -0.0563634074  -0.0228843605  -0.1434095039   0.0082815945
 6  3   0.0364243367  -0.0822625362   0.0424024419   0.0386941255  -0.3375559407
 6  4  -0.0321543011  -0.0170105136  -0.0226999250   0.0181525155   0.0062763232
 6  5   0.0081803727  -0.0209625032   0.0092704481   0.0100819870   0.0421087801
 6  6  -0.0087305756  -0.0423370691   0.0056031421  -0.0015193677   0.0025178136
 6  7   0.0019809615   0.0028454629   0.0009593628   0.0009458079   0.0020127640
 6  8  -0.0002023781  -0.0003116548  -0.0016907848  -0.0029718879   0.0002802927
 6  9  -0.000053 hondo
o  4,7,9,11,16,19                                                              \
   basis =o 3-21g hondo
h  5-6,8,12,14,17-18,20-24                                                     \
   basis =h 3-21g hondo
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=8850
   natoms=24
   nshell=84
   nbf(CAO)=132
   nbf(AO)=132
   dim(trafo[SAO<-->AO/CAO])=132
   rhfshells=1
$scfmo    file=mos
$closed shells
 a       1-48                                   ( 2 )
$scfiterlimit       30
$scfconv        7
$thize     0.10000000E-04
$thime        5
$scfdamp   start=0.500  step=0.050  min=0.100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$optimize
   internal   on
   redundant  on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=33  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit off
   diag=default
$energy    file=energy
$grad    file=gradient
$forceapprox    file=forceapprox
$lock off
$last step     force
$last SCF energy change = -.83479165E-06
$maximum norm of cartesian gradient = 0.49949058E-03
$maximum norm of internal gradient = 0.34517127E-03
$orbital_max_rnorm 0.17669727373131E-04
$maxcor 500
$dipole
  x     0.60010931560956    y    -0.05375798215498    z    -0.03181229927210
   | dipole | =    1.5335783488  debye
$hessian (projected)
 1  1   0.6660519054   0.0487146916   0.1143620592  -0.1899652754   0.0286919833
 1  2   0.0095706798  -0.0425841461   0.0182574601   0.0105777036   0.0051840965
 1  3  -0.0053215941   0.0013633194  -0.0014398575  -0.0007816142  -0.0021150938
 1  4   0.0021458027   0.0001192634   0.0000261855  -0.0014903153  -0.0039818623
 1  5  -0.0040326430  -0.2468213051  -0.0461735340  -0.1311193706  -0.0911157123
 1  6  -0.0068209575   0.0311077547  -0.0029079084  -0.0053540910  -0.0011365525
 1  7   0.0017383480   0.0025600286   0.0009483856  -0.0001352664  -0.0000357598
 1  8   0.0004318131  -0.0080287817  -0.0379682446  -0.0001355477   0.0019817182
 1  9   0.0014394176   0.0008762002  -0.0041655234  -0.0021078900  -0.0037582734
 1 10  -0.0948963544   0.0105761891  -0.0201088442   0.0000948999   0.0001977069
 1 11  -0.0000414604   0.0005714523  -0.0012428317   0.0001559640  -0.0002263318
 1 12   0.0017519813   0.0000165358   0.0003214448  -0.0011918806   0.0009916110
 1 13   0.0000612789  -0.0038678011   0.0010420781  -0.0010680032   0.0008901596
 1 14   0.0006754328   0.0002018487  -0.0001290599   0.0001169123   0.0064919856
 1 15   0.0017782393  -0.0098148495
 2  1   0.0487146916   0.5869144960   0.0296679787   0.0254889925  -0.0797605823
 2  2  -0.0168695417  -0.0099548888   0.0138814928   0.0094708261   0.0377014405
 2  3  -0.0356089394  -0.0053413594  -0.0079167549   0.0033903064   0.0036111940
 2  4   0.0014771286  -0.0001048460   0.0003712769  -0.0077540543  -0.0049675912
 2  5  -0.0032573572  -0.0547181164  -0.0735435403  -0.0439531388   0.0075903872
 2  6  -0.1089910015  -0.0027151791  -0.0049855884   0.0070585901   0.0060408377
 2  7   0.0069919737  -0.0026848714  -0.0003861054  -0.0003256940  -0.0004717379
 2  8  -0.0002009077  -0.0212596047  -0.0393666280  -0.0109261188   0.0052132210
 2  9   0.0044798446   0.0038794372   0.0008649532  -0.0002076641   0.0011237239
 2 10  -0.0175530804  -0.2471634418  -0.0266042548  -0.0000902262  -0.0002034299
 2 11  -0.0000203663   0.0007339231   0.0016140098  -0.0000931927   0.0005823904
 2 12   0.0030667453  -0.0022326951   0.0003547850  -0.0030599550   0.0026135153
 2 13  -0.0024378717  -0.0076916732   0.0018488881  -0.0018788129   0.0020767923
 2 14  -0.0001757057  -0.0009748683  -0.0003419701   0.0002327954  -0.0058643260
 2 15  -0.0183144053   0.0539154494
 3  1   0.1143620592   0.0296679787   0.6179067781   0.0232867023  -0.0257003746
 3  2  -0.0988848907  -0.0180986483   0.0137097492   0.0143818578  -0.0049198028
 3  3   0.0031060970  -0.0077320063   0.0360940984  -0.0147868862  -0.0096630300
 3  4  -0.0023297212   0.0004031549  -0.0036400725  -0.0068152284  -0.0019499159
 3  5  -0.0045391308  -0.1326942488  -0.0406599410  -0.1565424912   0.0205327261
 3  6   0.0557258705  -0.2481285674   0.0019849343   0.0010327229   0.0002787361
 3  7  -0.0003620604   0.0001002740  -0.0011049123   0.0006826594   0.0004138083
 3  8  -0.0004699073  -0.0021623233  -0.0295418414   0.0072279375  -0.0013187398
 3  9  -0.0021867370  -0.0038705233  -0.0050606722  -0.0030703183  -0.0046988692
 3 10  -0.0212993907   0.0089915595  -0.0888524377   0.0001564964   0.0002298849
 3 11  -0.0000346293   0.0001554828  -0.0016933235   0.0004924876   0.0006404718
 3 12   0.0012992553  -0.0009723283   0.0000709503   0.0000282496   0.0013402353
 3 13   0.0004828224   0.0029167617  -0.0009086222  -0.0017007865   0.0005468772
 3 14   0.0007533702   0.0001503017   0.0000589817   0.0000860619  -0.0018380829
 3 15   0.0013581124  -0.0124250463
 4  1  -0.1899652754   0.0254889925   0.0232867023   0.5751721464  -0.0134051748
 4  2  -0.0332522310  -0.1398826782  -0.0162703032  -0.0453707477  -0.1053334407
 4  3  -0.0373524810   0.0155715352  -0.0735551243  -0.0029786602   0.0420052333
 4  4   0.0020506318  -0.0007453294  -0.0001569682  -0.0511113023  -0.0130360895
 4  5  -0.0202165091  -0.0270001332   0.0145852172   0.0126989124  -0.0062254131
 4  6   0.0019059376   0.0108578192   0.0019881540  -0.0075151490   0.0016861454
 4  7   0.0024451852   0.0045714632   0.0001971015   0.0001600814   0.0005320883
 4  8  -0.0001084471   0.0072861462   0.0011336959   0.0035060437  -0.0007283781
 4  9  -0.0002116204  -0.0004481712  -0.0009046277   0.0000440348  -0.0002674442
 4 10   0.0066803094  -0.0098294120  -0.0064677423  -0.0001082913   0.0003638567
 4 11  -0.0000249098  -0.0000617467  -0.0005236431   0.0000735639  -0.0004276159
 4 12   0.0001341814   0.0000009636   0.0001890460   0.0004237689  -0.0003666880
 4 13   0.0051528956   0.0474923993  -0.0091908375  -0.0059138466   0.0048865148
 4 14   0.0027581354   0.0007668968   0.0008001857   0.0004348943  -0.0006736192
 4 15  -0.0004944736   0.0027936459
 5  1   0.0286919833  -0.0797605823  -0.0257003746  -0.0134051748   0.5692011462
 5  2  -0.0254958253  -0.0358132832  -0.0993144477  -0.0283206855   0.0216238677
 5  3  -0.2410855863   0.0295659519  -0.0038947055  -0.0650186207   0.0403456091
 5  4   0.0078291824   0.0034773778   0.0075544887   0.0206484583   0.0021188641
 5  5   0.0085760213  -0.0107391271   0.0074067696   0.0022316557  -0.0074752631
 5  6   0.0000354371   0.0120590604  -0.0335574939  -0.0170050300  -0.0237025482
 5  7  -0.0000103073  -0.0067988480   0.0016391691  -0.0002519005   0.0006948580
 5  8   0.0003970111   0.0052792338   0.0005487197  -0.0011738284  -0.0004808561
 5  9  -0.0002713754  -0.0002150516  -0.0005702172  -0.0003579976   0.0000052887
 5 10   0.0320146355  -0.0438551616  -0.0085938290  -0.0002125819   0.0004846992
 5 11   0.0000147662  -0.0000343938   0.0000421950   0.0001244676  -0.0002370010
 5 12   0.0005942608   0.0000568420   0.0004165433  -0.0002460587  -0.0001720887
 5 13  -0.0087216244  -0.0303511123   0.0090928460   0.0041448433  -0.0027656818
 5 14  -0.0010956308  -0.0008704248  -0.0005727366  -0.0015836901  -0.0043743932
 5 15   0.0027989116   0.0043903744
 6  1   0.0095706798  -0.0168695417  -0.0988848907  -0.0332522310  -0.0254958253
 6  2   0.7027313251  -0.0563634074  -0.0228843605  -0.1434095039   0.0082815945
 6  3   0.0364243367  -0.0822625362   0.0424024419   0.0386941255  -0.3375559407
 6  4  -0.0321543011  -0.0170105136  -0.0226999250   0.0181525155   0.0062763232
 6  5   0.0081803727  -0.0209625032   0.0092704481   0.0100819870   0.0421087801
 6  6  -0.0087305756  -0.0423370691   0.0056031421  -0.0015193677   0.0025178136
 6  7   0.0019809615   0.0028454629   0.0009593628   0.0009458079   0.0020127640
 6  8  -0.0002023781  -0.0003116548  -0.0016907848  -0.0029718879   0.0002802927
 6  9  -0.000053 hondo
o  4,7,9,11,16,19                                                              \
   basis =o 3-21g hondo
h  5-6,8,12,14,17-18,20-24                                                     \
   basis =h 3-21g hondo
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=8850
   natoms=24
   nshell=84
   nbf(CAO)=132
   nbf(AO)=132
   dim(trafo[SAO<-->AO/CAO])=132
   rhfshells=1
$scfmo    file=mos
$closed shells
 a       1-48                                   ( 2 )
$scfiterlimit       30
$scfconv        7
$thize     0.10000000E-04
$thime        5
$scfdamp   start=0.500  step=0.050  min=0.100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$optimize
   internal   on
   redundant  on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=33  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit off
   diag=default
$energy    file=energy
$grad    file=gradient
$forceapprox    file=forceapprox
$lock off
$last step     force
$last SCF energy change = -.83479165E-06
$maximum norm of cartesian gradient = 0.49949058E-03
$maximum norm of internal gradient = 0.34517127E-03
$orbital_max_rnorm 0.17669727373131E-04
$maxcor 500
$dipole
  x     0.60010931560956    y    -0.05375798215498    z    -0.03181229927210
   | dipole | =    1.5335783488  debye
$hessian (projected)
 1  1   0.6660519054   0.0487146916   0.1143620592  -0.1899652754   0.0286919833
 1  2   0.0095706798  -0.0425841461   0.0182574601   0.0105777036   0.0051840965
 1  3  -0.0053215941   0.0013633194  -0.0014398575  -0.0007816142  -0.0021150938
 1  4   0.0021458027   0.0001192634   0.0000261855  -0.0014903153  -0.0039818623
 1  5  -0.0040326430  -0.2468213051  -0.0461735340  -0.1311193706  -0.0911157123
 1  6  -0.0068209575   0.0311077547  -0.0029079084  -0.0053540910  -0.0011365525
 1  7   0.0017383480   0.0025600286   0.0009483856  -0.0001352664  -0.0000357598
 1  8   0.0004318131  -0.0080287817  -0.0379682446  -0.0001355477   0.0019817182
 1  9   0.0014394176   0.0008762002  -0.0041655234  -0.0021078900  -0.0037582734
 1 10  -0.0948963544   0.0105761891  -0.0201088442   0.0000948999   0.0001977069
 1 11  -0.0000414604   0.0005714523  -0.0012428317   0.0001559640  -0.0002263318
 1 12   0.0017519813   0.0000165358   0.0003214448  -0.0011918806   0.0009916110
 1 13   0.0000612789  -0.0038678011   0.0010420781  -0.0010680032   0.0008901596
 1 14   0.0006754328   0.0002018487  -0.0001290599   0.0001169123   0.0064919856
 1 15   0.0017782393  -0.0098148495
 2  1   0.0487146916   0.5869144960   0.0296679787   0.0254889925  -0.0797605823
 2  2  -0.0168695417  -0.0099548888   0.0138814928   0.0094708261   0.0377014405
 2  3  -0.0356089394  -0.0053413594  -0.0079167549   0.0033903064   0.0036111940
 2  4   0.0014771286  -0.0001048460   0.0003712769  -0.0077540543  -0.0049675912
 2  5  -0.0032573572  -0.0547181164  -0.0735435403  -0.0439531388   0.0075903872
 2  6  -0.1089910015  -0.0027151791  -0.0049855884   0.0070585901   0.0060408377
 2  7   0.0069919737  -0.0026848714  -0.0003861054  -0.0003256940  -0.0004717379
 2  8  -0.0002009077  -0.0212596047  -0.0393666280  -0.0109261188   0.0052132210
 2  9   0.0044798446   0.0038794372   0.0008649532  -0.0002076641   0.0011237239
 2 10  -0.0175530804  -0.2471634418  -0.0266042548  -0.0000902262  -0.0002034299
 2 11  -0.0000203663   0.0007339231   0.0016140098  -0.0000931927   0.0005823904
 2 12   0.0030667453  -0.0022326951   0.0003547850  -0.0030599550   0.0026135153
 2 13  -0.0024378717  -0.0076916732   0.0018488881  -0.0018788129   0.0020767923
 2 14  -0.0001757057  -0.0009748683  -0.0003419701   0.0002327954  -0.0058643260
 2 15  -0.0183144053   0.0539154494
 3  1   0.1143620592   0.0296679787   0.6179067781   0.0232867023  -0.0257003746
 3  2  -0.0988848907  -0.0180986483   0.0137097492   0.0143818578  -0.0049198028
 3  3   0.0031060970  -0.0077320063   0.0360940984  -0.0147868862  -0.0096630300
 3  4  -0.0023297212   0.0004031549  -0.0036400725  -0.0068152284  -0.0019499159
 3  5  -0.0045391308  -0.1326942488  -0.0406599410  -0.1565424912   0.0205327261
 3  6   0.0557258705  -0.2481285674   0.0019849343   0.0010327229   0.0002787361
 3  7  -0.0003620604   0.0001002740  -0.0011049123   0.0006826594   0.0004138083
 3  8  -0.0004699073  -0.0021623233  -0.0295418414   0.0072279375  -0.0013187398
 3  9  -0.0021867370  -0.0038705233  -0.0050606722  -0.0030703183  -0.0046988692
 3 10  -0.0212993907   0.0089915595  -0.0888524377   0.0001564964   0.0002298849
 3 11  -0.0000346293   0.0001554828  -0.0016933235   0.0004924876   0.0006404718
 3 12   0.0012992553  -0.0009723283   0.0000709503   0.0000282496   0.0013402353
 3 13   0.0004828224   0.0029167617  -0.0009086222  -0.0017007865   0.0005468772
 3 14   0.0007533702   0.0001503017   0.0000589817   0.0000860619  -0.0018380829
 3 15   0.0013581124  -0.0124250463
 4  1  -0.1899652754   0.0254889925   0.0232867023   0.5751721464  -0.0134051748
 4  2  -0.0332522310  -0.1398826782  -0.0162703032  -0.0453707477  -0.1053334407
 4  3  -0.0373524810   0.0155715352  -0.0735551243  -0.0029786602   0.0420052333
 4  4   0.0020506318  -0.0007453294  -0.0001569682  -0.0511113023  -0.0130360895
 4  5  -0.0202165091  -0.0270001332   0.0145852172   0.0126989124  -0.0062254131
 4  6   0.0019059376   0.0108578192   0.0019881540  -0.0075151490   0.0016861454
 4  7   0.0024451852   0.0045714632   0.0001971015   0.0001600814   0.0005320883
 4  8  -0.0001084471   0.0072861462   0.0011336959   0.0035060437  -0.0007283781
 4  9  -0.0002116204  -0.0004481712  -0.0009046277   0.0000440348  -0.0002674442
 4 10   0.0066803094  -0.0098294120  -0.0064677423  -0.0001082913   0.0003638567
 4 11  -0.0000249098  -0.0000617467  -0.0005236431   0.0000735639  -0.0004276159
 4 12   0.0001341814   0.0000009636   0.0001890460   0.0004237689  -0.0003666880
 4 13   0.0051528956   0.0474923993  -0.0091908375  -0.0059138466   0.0048865148
 4 14   0.0027581354   0.0007668968   0.0008001857   0.0004348943  -0.0006736192
 4 15  -0.0004944736   0.0027936459
 5  1   0.0286919833  -0.0797605823  -0.0257003746  -0.0134051748   0.5692011462
 5  2  -0.0254958253  -0.0358132832  -0.0993144477  -0.0283206855   0.0216238677
 5  3  -0.2410855863   0.0295659519  -0.0038947055  -0.0650186207   0.0403456091
 5  4   0.0078291824   0.0034773778   0.0075544887   0.0206484583   0.0021188641
 5  5   0.0085760213  -0.0107391271   0.0074067696   0.0022316557  -0.0074752631
 5  6   0.0000354371   0.0120590604  -0.0335574939  -0.0170050300  -0.0237025482
 5  7  -0.0000103073  -0.0067988480   0.0016391691  -0.0002519005   0.0006948580
 5  8   0.0003970111   0.0052792338   0.0005487197  -0.0011738284  -0.0004808561
 5  9  -0.0002713754  -0.0002150516  -0.0005702172  -0.0003579976   0.0000052887
 5 10   0.0320146355  -0.0438551616  -0.0085938290  -0.0002125819   0.0004846992
 5 11   0.0000147662  -0.0000343938   0.0000421950   0.0001244676  -0.0002370010
 5 12   0.0005942608   0.0000568420   0.0004165433  -0.0002460587  -0.0001720887
 5 13  -0.0087216244  -0.0303511123   0.0090928460   0.0041448433  -0.0027656818
 5 14  -0.0010956308  -0.0008704248  -0.0005727366  -0.0015836901  -0.0043743932
 5 15   0.0027989116   0.0043903744
 6  1   0.0095706798  -0.0168695417  -0.0988848907  -0.0332522310  -0.0254958253
 6  2   0.7027313251  -0.0563634074  -0.0228843605  -0.1434095039   0.0082815945
 6  3   0.0364243367  -0.0822625362   0.0424024419   0.0386941255  -0.3375559407
 6  4  -0.0321543011  -0.0170105136  -0.0226999250   0.0181525155   0.0062763232
 6  5   0.0081803727  -0.0209625032   0.0092704481   0.0100819870   0.0421087801
 6  6  -0.0087305756  -0.0423370691   0.0056031421  -0.0015193677   0.0025178136
 6  7   0.0019809615   0.0028454629   0.0009593628   0.0009458079   0.0020127640
 6  8  -0.0002023781  -0.0003116548  -0.0016907848  -0.0029718879   0.0002802927
 6  9  -0.000053 hondo
o  4,7,9,11,16,19                                                              \
   basis =o 3-21g hondo
h  5-6,8,12,14,17-18,20-24                                                     \
   basis =h 3-21g hondo
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=8850
   natoms=24
   nshell=84
   nbf(CAO)=132
   nbf(AO)=132
   dim(trafo[SAO<-->AO/CAO])=132
   rhfshells=1
$scfmo    file=mos
$closed shells
 a       1-48                                   ( 2 )
$scfiterlimit       30
$scfconv        7
$thize     0.10000000E-04
$thime        5
$scfdamp   start=0.500  step=0.050  min=0.100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$optimize
   internal   on
   redundant  on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=33  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit off
   diag=default
$energy    file=energy
$grad    file=gradient
$forceapprox    file=forceapprox
$lock off
$last step     force
$last SCF energy change = -.83479165E-06
$maximum norm of cartesian gradient = 0.49949058E-03
$maximum norm of internal gradient = 0.34517127E-03
$orbital_max_rnorm 0.17669727373131E-04
$maxcor 500
$dipole
  x     0.60010931560956    y    -0.05375798215498    z    -0.03181229927210
   | dipole | =    1.5335783488  debye
$hessian (projected)
 1  1   0.6660519054   0.0487146916   0.1143620592  -0.1899652754   0.0286919833
 1  2   0.0095706798  -0.0425841461   0.0182574601   0.0105777036   0.0051840965
 1  3  -0.0053215941   0.0013633194  -0.0014398575  -0.0007816142  -0.0021150938
 1  4   0.0021458027   0.0001192634   0.0000261855  -0.0014903153  -0.0039818623
 1  5  -0.0040326430  -0.2468213051  -0.0461735340  -0.1311193706  -0.0911157123
 1  6  -0.0068209575   0.0311077547  -0.0029079084  -0.0053540910  -0.0011365525
 1  7   0.0017383480   0.0025600286   0.0009483856  -0.0001352664  -0.0000357598
 1  8   0.0004318131  -0.0080287817  -0.0379682446  -0.0001355477   0.0019817182
 1  9   0.0014394176   0.0008762002  -0.0041655234  -0.0021078900  -0.0037582734
 1 10  -0.0948963544   0.0105761891  -0.0201088442   0.0000948999   0.0001977069
 1 11  -0.0000414604   0.0005714523  -0.0012428317   0.0001559640  -0.0002263318
 1 12   0.0017519813   0.0000165358   0.0003214448  -0.0011918806   0.0009916110
 1 13   0.0000612789  -0.0038678011   0.0010420781  -0.0010680032   0.0008901596
 1 14   0.0006754328   0.0002018487  -0.0001290599   0.0001169123   0.0064919856
 1 15   0.0017782393  -0.0098148495
 2  1   0.0487146916   0.5869144960   0.0296679787   0.0254889925  -0.0797605823
 2  2  -0.0168695417  -0.0099548888   0.0138814928   0.0094708261   0.0377014405
 2  3  -0.0356089394  -0.0053413594  -0.0079167549   0.0033903064   0.0036111940
 2  4   0.0014771286  -0.0001048460   0.0003712769  -0.0077540543  -0.0049675912
 2  5  -0.0032573572  -0.0547181164  -0.0735435403  -0.0439531388   0.0075903872
 2  6  -0.1089910015  -0.0027151791  -0.0049855884   0.0070585901   0.0060408377
 2  7   0.0069919737  -0.0026848714  -0.0003861054  -0.0003256940  -0.0004717379
 2  8  -0.0002009077  -0.0212596047  -0.0393666280  -0.0109261188   0.0052132210
 2  9   0.0044798446   0.0038794372   0.0008649532  -0.0002076641   0.0011237239
 2 10  -0.0175530804  -0.2471634418  -0.0266042548  -0.0000902262  -0.0002034299
 2 11  -0.0000203663   0.0007339231   0.0016140098  -0.0000931927   0.0005823904
 2 12   0.0030667453  -0.0022326951   0.0003547850  -0.0030599550   0.0026135153
 2 13  -0.0024378717  -0.0076916732   0.0018488881  -0.0018788129   0.0020767923
 2 14  -0.0001757057  -0.0009748683  -0.0003419701   0.0002327954  -0.0058643260
 2 15  -0.0183144053   0.0539154494
 3  1   0.1143620592   0.0296679787   0.6179067781   0.0232867023  -0.0257003746
 3  2  -0.0988848907  -0.0180986483   0.0137097492   0.0143818578  -0.0049198028
 3  3   0.0031060970  -0.0077320063   0.0360940984  -0.0147868862  -0.0096630300
 3  4  -0.0023297212   0.0004031549  -0.0036400725  -0.0068152284  -0.0019499159
 3  5  -0.0045391308  -0.1326942488  -0.0406599410  -0.1565424912   0.0205327261
 3  6   0.0557258705  -0.2481285674   0.0019849343   0.0010327229   0.0002787361
 3  7  -0.0003620604   0.0001002740  -0.0011049123   0.0006826594   0.0004138083
 3  8  -0.0004699073  -0.0021623233  -0.0295418414   0.0072279375  -0.0013187398
 3  9  -0.0021867370  -0.0038705233  -0.0050606722  -0.0030703183  -0.0046988692
 3 10  -0.0212993907   0.0089915595  -0.0888524377   0.0001564964   0.0002298849
 3 11  -0.0000346293   0.0001554828  -0.0016933235   0.0004924876   0.0006404718
 3 12   0.0012992553  -0.0009723283   0.0000709503   0.0000282496   0.0013402353
 3 13   0.0004828224   0.0029167617  -0.0009086222  -0.0017007865   0.0005468772
 3 14   0.0007533702   0.0001503017   0.0000589817   0.0000860619  -0.0018380829
 3 15   0.0013581124  -0.0124250463
 4  1  -0.1899652754   0.0254889925   0.0232867023   0.5751721464  -0.0134051748
 4  2  -0.0332522310  -0.1398826782  -0.0162703032  -0.0453707477  -0.1053334407
 4  3  -0.0373524810   0.0155715352  -0.0735551243  -0.0029786602   0.0420052333
 4  4   0.0020506318  -0.0007453294  -0.0001569682  -0.0511113023  -0.0130360895
 4  5  -0.0202165091  -0.0270001332   0.0145852172   0.0126989124  -0.0062254131
 4  6   0.0019059376   0.0108578192   0.0019881540  -0.0075151490   0.0016861454
 4  7   0.0024451852   0.0045714632   0.0001971015   0.0001600814   0.0005320883
 4  8  -0.0001084471   0.0072861462   0.0011336959   0.0035060437  -0.0007283781
 4  9  -0.0002116204  -0.0004481712  -0.0009046277   0.0000440348  -0.0002674442
 4 10   0.0066803094  -0.0098294120  -0.0064677423  -0.0001082913   0.0003638567
 4 11  -0.0000249098  -0.0000617467  -0.0005236431   0.0000735639  -0.0004276159
 4 12   0.0001341814   0.0000009636   0.0001890460   0.0004237689  -0.0003666880
 4 13   0.0051528956   0.0474923993  -0.0091908375  -0.0059138466   0.0048865148
 4 14   0.0027581354   0.0007668968   0.0008001857   0.0004348943  -0.0006736192
 4 15  -0.0004944736   0.0027936459
 5  1   0.0286919833  -0.0797605823  -0.0257003746  -0.0134051748   0.5692011462
 5  2  -0.0254958253  -0.0358132832  -0.0993144477  -0.0283206855   0.0216238677
 5  3  -0.2410855863   0.0295659519  -0.0038947055  -0.0650186207   0.0403456091
 5  4   0.0078291824   0.0034773778   0.0075544887   0.0206484583   0.0021188641
 5  5   0.0085760213  -0.0107391271   0.0074067696   0.0022316557  -0.0074752631
 5  6   0.0000354371   0.0120590604  -0.0335574939  -0.0170050300  -0.0237025482
 5  7  -0.0000103073  -0.0067988480   0.0016391691  -0.0002519005   0.0006948580
 5  8   0.0003970111   0.0052792338   0.0005487197  -0.0011738284  -0.0004808561
 5  9  -0.0002713754  -0.0002150516  -0.0005702172  -0.0003579976   0.0000052887
 5 10   0.0320146355  -0.0438551616  -0.0085938290  -0.0002125819   0.0004846992
 5 11   0.0000147662  -0.0000343938   0.0000421950   0.0001244676  -0.0002370010
 5 12   0.0005942608   0.0000568420   0.0004165433  -0.0002460587  -0.0001720887
 5 13  -0.0087216244  -0.0303511123   0.0090928460   0.0041448433  -0.0027656818
 5 14  -0.0010956308  -0.0008704248  -0.0005727366  -0.0015836901  -0.0043743932
 5 15   0.0027989116   0.0043903744
 6  1   0.0095706798  -0.0168695417  -0.0988848907  -0.0332522310  -0.0254958253
 6  2   0.7027313251  -0.0563634074  -0.0228843605  -0.1434095039   0.0082815945
 6  3   0.0364243367  -0.0822625362   0.0424024419   0.0386941255  -0.3375559407
 6  4  -0.0321543011  -0.0170105136  -0.0226999250   0.0181525155   0.0062763232
 6  5   0.0081803727  -0.0209625032   0.0092704481   0.0100819870   0.0421087801
 6  6  -0.0087305756  -0.0423370691   0.0056031421  -0.0015193677   0.0025178136
 6  7   0.0019809615   0.0028454629   0.0009593628   0.0009458079   0.0020127640
 6  8  -0.0002023781  -0.0003116548  -0.0016907848  -0.0029718879   0.0002802927
 6  9  -0.000053 hondo
o  4,7,9,11,16,19                                                              \
   basis =o 3-21g hondo
h  5-6,8,12,14,17-18,20-24                                                     \
   basis =h 3-21g hondo
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=8850
   natoms=24
   nshell=84
   nbf(CAO)=132
   nbf(AO)=132
   dim(trafo[SAO<-->AO/CAO])=132
   rhfshells=1
$scfmo    file=mos
$closed shells
 a       1-48                                   ( 2 )
$scfiterlimit       30
$scfconv        7
$thize     0.10000000E-04
$thime        5
$scfdamp   start=0.500  step=0.050  min=0.100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$optimize
   internal   on
   redundant  on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=33  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit off
   diag=default
$energy    file=energy
$grad    file=gradient
$forceapprox    file=forceapprox
$lock off
$last step     force
$last SCF energy change = -.83479165E-06
$maximum norm of cartesian gradient = 0.49949058E-03
$maximum norm of internal gradient = 0.34517127E-03
$orbital_max_rnorm 0.17669727373131E-04
$maxcor 500
$dipole
  x     0.60010931560956    y    -0.05375798215498    z    -0.03181229927210
   | dipole | =    1.5335783488  debye
$hessian (projected)
 1  1   0.6660519054   0.0487146916   0.1143620592  -0.1899652754   0.0286919833
 1  2   0.0095706798  -0.0425841461   0.0182574601   0.0105777036   0.0051840965
 1  3  -0.0053215941   0.0013633194  -0.0014398575  -0.0007816142  -0.0021150938
 1  4   0.0021458027   0.0001192634   0.0000261855  -0.0014903153  -0.0039818623
 1  5  -0.0040326430  -0.2468213051  -0.0461735340  -0.1311193706  -0.0911157123
 1  6  -0.0068209575   0.0311077547  -0.0029079084  -0.0053540910  -0.0011365525
 1  7   0.0017383480   0.0025600286   0.0009483856  -0.0001352664  -0.0000357598
 1  8   0.0004318131  -0.0080287817  -0.0379682446  -0.0001355477   0.0019817182
 1  9   0.0014394176   0.0008762002  -0.0041655234  -0.0021078900  -0.0037582734
 1 10  -0.0948963544   0.0105761891  -0.0201088442   0.0000948999   0.0001977069
 1 11  -0.0000414604   0.0005714523  -0.0012428317   0.0001559640  -0.0002263318
 1 12   0.0017519813   0.0000165358   0.0003214448  -0.0011918806   0.0009916110
 1 13   0.0000612789  -0.0038678011   0.0010420781  -0.0010680032   0.0008901596
 1 14   0.0006754328   0.0002018487  -0.0001290599   0.0001169123   0.0064919856
 1 15   0.0017782393  -0.0098148495
 2  1   0.0487146916   0.5869144960   0.0296679787   0.0254889925  -0.0797605823
 2  2  -0.0168695417  -0.0099548888   0.0138814928   0.0094708261   0.0377014405
 2  3  -0.0356089394  -0.0053413594  -0.0079167549   0.0033903064   0.0036111940
 2  4   0.0014771286  -0.0001048460   0.0003712769  -0.0077540543  -0.0049675912
 2  5  -0.0032573572  -0.0547181164  -0.0735435403  -0.0439531388   0.0075903872
 2  6  -0.1089910015  -0.0027151791  -0.0049855884   0.0070585901   0.0060408377
 2  7   0.0069919737  -0.0026848714  -0.0003861054  -0.0003256940  -0.0004717379
 2  8  -0.0002009077  -0.0212596047  -0.0393666280  -0.0109261188   0.0052132210
 2  9   0.0044798446   0.0038794372   0.0008649532  -0.0002076641   0.0011237239
 2 10  -0.0175530804  -0.2471634418  -0.0266042548  -0.0000902262  -0.0002034299
 2 11  -0.0000203663   0.0007339231   0.0016140098  -0.0000931927   0.0005823904
 2 12   0.0030667453  -0.0022326951   0.0003547850  -0.0030599550   0.0026135153
 2 13  -0.0024378717  -0.0076916732   0.0018488881  -0.0018788129   0.0020767923
 2 14  -0.0001757057  -0.0009748683  -0.0003419701   0.0002327954  -0.0058643260
 2 15  -0.0183144053   0.0539154494
 3  1   0.1143620592   0.0296679787   0.6179067781   0.0232867023  -0.0257003746
 3  2  -0.0988848907  -0.0180986483   0.0137097492   0.0143818578  -0.0049198028
 3  3   0.0031060970  -0.0077320063   0.0360940984  -0.0147868862  -0.0096630300
 3  4  -0.0023297212   0.0004031549  -0.0036400725  -0.0068152284  -0.0019499159
 3  5  -0.0045391308  -0.1326942488  -0.0406599410  -0.1565424912   0.0205327261
 3  6   0.0557258705  -0.2481285674   0.0019849343   0.0010327229   0.0002787361
 3  7  -0.0003620604   0.0001002740  -0.0011049123   0.0006826594   0.0004138083
 3  8  -0.0004699073  -0.0021623233  -0.0295418414   0.0072279375  -0.0013187398
 3  9  -0.0021867370  -0.0038705233  -0.0050606722  -0.0030703183  -0.0046988692
 3 10  -0.0212993907   0.0089915595  -0.0888524377   0.0001564964   0.0002298849
 3 11  -0.0000346293   0.0001554828  -0.0016933235   0.0004924876   0.0006404718
 3 12   0.0012992553  -0.0009723283   0.0000709503   0.0000282496   0.0013402353
 3 13   0.0004828224   0.0029167617  -0.0009086222  -0.0017007865   0.0005468772
 3 14   0.0007533702   0.0001503017   0.0000589817   0.0000860619  -0.0018380829
 3 15   0.0013581124  -0.0124250463
 4  1  -0.1899652754   0.0254889925   0.0232867023   0.5751721464  -0.0134051748
 4  2  -0.0332522310  -0.1398826782  -0.0162703032  -0.0453707477  -0.1053334407
 4  3  -0.0373524810   0.0155715352  -0.0735551243  -0.0029786602   0.0420052333
 4  4   0.0020506318  -0.0007453294  -0.0001569682  -0.0511113023  -0.0130360895
 4  5  -0.0202165091  -0.0270001332   0.0145852172   0.0126989124  -0.0062254131
 4  6   0.0019059376   0.0108578192   0.0019881540  -0.0075151490   0.0016861454
 4  7   0.0024451852   0.0045714632   0.0001971015   0.0001600814   0.0005320883
 4  8  -0.0001084471   0.0072861462   0.0011336959   0.0035060437  -0.0007283781
 4  9  -0.0002116204  -0.0004481712  -0.0009046277   0.0000440348  -0.0002674442
 4 10   0.0066803094  -0.0098294120  -0.0064677423  -0.0001082913   0.0003638567
 4 11  -0.0000249098  -0.0000617467  -0.0005236431   0.0000735639  -0.0004276159
 4 12   0.0001341814   0.0000009636   0.0001890460   0.0004237689  -0.0003666880
 4 13   0.0051528956   0.0474923993  -0.0091908375  -0.0059138466   0.0048865148
 4 14   0.0027581354   0.0007668968   0.0008001857   0.0004348943  -0.0006736192
 4 15  -0.0004944736   0.0027936459
 5  1   0.0286919833  -0.0797605823  -0.0257003746  -0.0134051748   0.5692011462
 5  2  -0.0254958253  -0.0358132832  -0.0993144477  -0.0283206855   0.0216238677
 5  3  -0.2410855863   0.0295659519  -0.0038947055  -0.0650186207   0.0403456091
 5  4   0.0078291824   0.0034773778   0.0075544887   0.0206484583   0.0021188641
 5  5   0.0085760213  -0.0107391271   0.0074067696   0.0022316557  -0.0074752631
 5  6   0.0000354371   0.0120590604  -0.0335574939  -0.0170050300  -0.0237025482
 5  7  -0.0000103073  -0.0067988480   0.0016391691  -0.0002519005   0.0006948580
 5  8   0.0003970111   0.0052792338   0.0005487197  -0.0011738284  -0.0004808561
 5  9  -0.0002713754  -0.0002150516  -0.0005702172  -0.0003579976   0.0000052887
 5 10   0.0320146355  -0.0438551616  -0.0085938290  -0.0002125819   0.0004846992
 5 11   0.0000147662  -0.0000343938   0.0000421950   0.0001244676  -0.0002370010
 5 12   0.0005942608   0.0000568420   0.0004165433  -0.0002460587  -0.0001720887
 5 13  -0.0087216244  -0.0303511123   0.0090928460   0.0041448433  -0.0027656818
 5 14  -0.0010956308  -0.0008704248  -0.0005727366  -0.0015836901  -0.0043743932
 5 15   0.0027989116   0.0043903744
 6  1   0.0095706798  -0.0168695417  -0.0988848907  -0.0332522310  -0.0254958253
 6  2   0.7027313251  -0.0563634074  -0.0228843605  -0.1434095039   0.0082815945
 6  3   0.0364243367  -0.0822625362   0.0424024419   0.0386941255  -0.3375559407
 6  4  -0.0321543011  -0.0170105136  -0.0226999250   0.0181525155   0.0062763232
 6  5   0.0081803727  -0.0209625032   0.0092704481   0.0100819870   0.0421087801
 6  6  -0.0087305756  -0.0423370691   0.0056031421  -0.0015193677   0.0025178136
 6  7   0.0019809615   0.0028454629   0.0009593628   0.0009458079   0.0020127640
 6  8  -0.0002023781  -0.0003116548  -0.0016907848  -0.0029718879   0.0002802927
 6  9  -0.000053 hondo
o  4,7,9,11,16,19                                                              \
   basis =o 3-21g hondo
h  5-6,8,12,14,17-18,20-24                                                     \
   basis =h 3-21g hondo
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=8850
   natoms=24
   nshell=84
   nbf(CAO)=132
   nbf(AO)=132
   dim(trafo[SAO<-->AO/CAO])=132
   rhfshells=1
$scfmo    file=mos
$closed shells
 a       1-48                                   ( 2 )
$scfiterlimit       30
$scfconv        7
$thize     0.10000000E-04
$thime        5
$scfdamp   start=0.500  step=0.050  min=0.100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$optimize
   internal   on
   redundant  on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=33  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit off
   diag=default
$energy    file=energy
$grad    file=gradient
$forceapprox    file=forceapprox
$lock off
$last step     force
$last SCF energy change = -.83479165E-06
$maximum norm of cartesian gradient = 0.49949058E-03
$maximum norm of internal gradient = 0.34517127E-03
$orbital_max_rnorm 0.17669727373131E-04
$maxcor 500
$dipole
  x     0.60010931560956    y    -0.05375798215498    z    -0.03181229927210
   | dipole | =    1.5335783488  debye
$hessian (projected)
 1  1   0.6660519054   0.0487146916   0.1143620592  -0.1899652754   0.0286919833
 1  2   0.0095706798  -0.0425841461   0.0182574601   0.0105777036   0.0051840965
 1  3  -0.0053215941   0.0013633194  -0.0014398575  -0.0007816142  -0.0021150938
 1  4   0.0021458027   0.0001192634   0.0000261855  -0.0014903153  -0.0039818623
 1  5  -0.0040326430  -0.2468213051  -0.0461735340  -0.1311193706  -0.0911157123
 1  6  -0.0068209575   0.0311077547  -0.0029079084  -0.0053540910  -0.0011365525
 1  7   0.0017383480   0.0025600286   0.0009483856  -0.0001352664  -0.0000357598
 1  8   0.0004318131  -0.0080287817  -0.0379682446  -0.0001355477   0.0019817182
 1  9   0.0014394176   0.0008762002  -0.0041655234  -0.0021078900  -0.0037582734
 1 10  -0.0948963544   0.0105761891  -0.0201088442   0.0000948999   0.0001977069
 1 11  -0.0000414604   0.0005714523  -0.0012428317   0.0001559640  -0.0002263318
 1 12   0.0017519813   0.0000165358   0.0003214448  -0.0011918806   0.0009916110
 1 13   0.0000612789  -0.0038678011   0.0010420781  -0.0010680032   0.0008901596
 1 14   0.0006754328   0.0002018487  -0.0001290599   0.0001169123   0.0064919856
 1 15   0.0017782393  -0.0098148495
 2  1   0.0487146916   0.5869144960   0.0296679787   0.0254889925  -0.0797605823
 2  2  -0.0168695417  -0.0099548888   0.0138814928   0.0094708261   0.0377014405
 2  3  -0.0356089394  -0.0053413594  -0.0079167549   0.0033903064   0.0036111940
 2  4   0.0014771286  -0.0001048460   0.0003712769  -0.0077540543  -0.0049675912
 2  5  -0.0032573572  -0.0547181164  -0.0735435403  -0.0439531388   0.0075903872
 2  6  -0.1089910015  -0.0027151791  -0.0049855884   0.0070585901   0.0060408377
 2  7   0.0069919737  -0.0026848714  -0.0003861054  -0.0003256940  -0.0004717379
 2  8  -0.0002009077  -0.0212596047  -0.0393666280  -0.0109261188   0.0052132210
 2  9   0.0044798446   0.0038794372   0.0008649532  -0.0002076641   0.0011237239
 2 10  -0.0175530804  -0.2471634418  -0.0266042548  -0.0000902262  -0.0002034299
 2 11  -0.0000203663   0.0007339231   0.0016140098  -0.0000931927   0.0005823904
 2 12   0.0030667453  -0.0022326951   0.0003547850  -0.0030599550   0.0026135153
 2 13  -0.0024378717  -0.0076916732   0.0018488881  -0.0018788129   0.0020767923
 2 14  -0.0001757057  -0.0009748683  -0.0003419701   0.0002327954  -0.0058643260
 2 15  -0.0183144053   0.0539154494
 3  1   0.1143620592   0.0296679787   0.6179067781   0.0232867023  -0.0257003746
 3  2  -0.0988848907  -0.0180986483   0.0137097492   0.0143818578  -0.0049198028
 3  3   0.0031060970  -0.0077320063   0.0360940984  -0.0147868862  -0.0096630300
 3  4  -0.0023297212   0.0004031549  -0.0036400725  -0.0068152284  -0.0019499159
 3  5  -0.0045391308  -0.1326942488  -0.0406599410  -0.1565424912   0.0205327261
 3  6   0.0557258705  -0.2481285674   0.0019849343   0.0010327229   0.0002787361
 3  7  -0.0003620604   0.0001002740  -0.0011049123   0.0006826594   0.0004138083
 3  8  -0.0004699073  -0.0021623233  -0.0295418414   0.0072279375  -0.0013187398
 3  9  -0.0021867370  -0.0038705233  -0.0050606722  -0.0030703183  -0.0046988692
 3 10  -0.0212993907   0.0089915595  -0.0888524377   0.0001564964   0.0002298849
 3 11  -0.0000346293   0.0001554828  -0.0016933235   0.0004924876   0.0006404718
 3 12   0.0012992553  -0.0009723283   0.0000709503   0.0000282496   0.0013402353
 3 13   0.0004828224   0.0029167617  -0.0009086222  -0.0017007865   0.0005468772
 3 14   0.0007533702   0.0001503017   0.0000589817   0.0000860619  -0.0018380829
 3 15   0.0013581124  -0.0124250463
 4  1  -0.1899652754   0.0254889925   0.0232867023   0.5751721464  -0.0134051748
 4  2  -0.0332522310  -0.1398826782  -0.0162703032  -0.0453707477  -0.1053334407
 4  3  -0.0373524810   0.0155715352  -0.0735551243  -0.0029786602   0.0420052333
 4  4   0.0020506318  -0.0007453294  -0.0001569682  -0.0511113023  -0.0130360895
 4  5  -0.0202165091  -0.0270001332   0.0145852172   0.0126989124  -0.0062254131
 4  6   0.0019059376   0.0108578192   0.0019881540  -0.0075151490   0.0016861454
 4  7   0.0024451852   0.0045714632   0.0001971015   0.0001600814   0.0005320883
 4  8  -0.0001084471   0.0072861462   0.0011336959   0.0035060437  -0.0007283781
 4  9  -0.0002116204  -0.0004481712  -0.0009046277   0.0000440348  -0.0002674442
 4 10   0.0066803094  -0.0098294120  -0.0064677423  -0.0001082913   0.0003638567
 4 11  -0.0000249098  -0.0000617467  -0.0005236431   0.0000735639  -0.0004276159
 4 12   0.0001341814   0.0000009636   0.0001890460   0.0004237689  -0.0003666880
 4 13   0.0051528956   0.0474923993  -0.0091908375  -0.0059138466   0.0048865148
 4 14   0.0027581354   0.0007668968   0.0008001857   0.0004348943  -0.0006736192
 4 15  -0.0004944736   0.0027936459
 5  1   0.0286919833  -0.0797605823  -0.0257003746  -0.0134051748   0.5692011462
 5  2  -0.0254958253  -0.0358132832  -0.0993144477  -0.0283206855   0.0216238677
 5  3  -0.2410855863   0.0295659519  -0.0038947055  -0.0650186207   0.0403456091
 5  4   0.0078291824   0.0034773778   0.0075544887   0.0206484583   0.0021188641
 5  5   0.0085760213  -0.0107391271   0.0074067696   0.0022316557  -0.0074752631
 5  6   0.0000354371   0.0120590604  -0.0335574939  -0.0170050300  -0.0237025482
 5  7  -0.0000103073  -0.0067988480   0.0016391691  -0.0002519005   0.0006948580
 5  8   0.0003970111   0.0052792338   0.0005487197  -0.0011738284  -0.0004808561
 5  9  -0.0002713754  -0.0002150516  -0.0005702172  -0.0003579976   0.0000052887
 5 10   0.0320146355  -0.0438551616  -0.0085938290  -0.0002125819   0.0004846992
 5 11   0.0000147662  -0.0000343938   0.0000421950   0.0001244676  -0.0002370010
 5 12   0.0005942608   0.0000568420   0.0004165433  -0.0002460587  -0.0001720887
 5 13  -0.0087216244  -0.0303511123   0.0090928460   0.0041448433  -0.0027656818
 5 14  -0.0010956308  -0.0008704248  -0.0005727366  -0.0015836901  -0.0043743932
 5 15   0.0027989116   0.0043903744
 6  1   0.0095706798  -0.0168695417  -0.0988848907  -0.0332522310  -0.0254958253
 6  2   0.7027313251  -0.0563634074  -0.0228843605  -0.1434095039   0.0082815945
 6  3   0.0364243367  -0.0822625362   0.0424024419   0.0386941255  -0.3375559407
 6  4  -0.0321543011  -0.0170105136  -0.0226999250   0.0181525155   0.0062763232
 6  5   0.0081803727  -0.0209625032   0.0092704481   0.0100819870   0.0421087801
 6  6  -0.0087305756  -0.0423370691   0.0056031421  -0.0015193677   0.0025178136
 6  7   0.0019809615   0.0028454629   0.0009593628   0.0009458079   0.0020127640
 6  8  -0.0002023781  -0.0003116548  -0.0016907848  -0.0029718879   0.0002802927
 6  9  -0.000053 hondo
o  4,7,9,11,16,19                                                              \
   basis =o 3-21g hondo
h  5-6,8,12,14,17-18,20-24                                                     \
   basis =h 3-21g hondo
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=8850
   natoms=24
   nshell=84
   nbf(CAO)=132
   nbf(AO)=132
   dim(trafo[SAO<-->AO/CAO])=132
   rhfshells=1
$scfmo    file=mos
$closed shells
 a       1-48                                   ( 2 )
$scfiterlimit       30
$scfconv        7
$thize     0.10000000E-04
$thime        5
$scfdamp   start=0.500  step=0.050  min=0.100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$optimize
   internal   on
   redundant  on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=33  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit off
   diag=default
$energy    file=energy
$grad    file=gradient
$forceapprox    file=forceapprox
$lock off
$last step     force
$last SCF energy change = -.83479165E-06
$maximum norm of cartesian gradient = 0.49949058E-03
$maximum norm of internal gradient = 0.34517127E-03
$orbital_max_rnorm 0.17669727373131E-04
$maxcor 500
$dipole
  x     0.60010931560956    y    -0.05375798215498    z    -0.03181229927210
   | dipole | =    1.5335783488  debye
$hessian (projected)
 1  1   0.6660519054   0.0487146916   0.1143620592  -0.1899652754   0.0286919833
 1  2   0.0095706798  -0.0425841461   0.0182574601   0.0105777036   0.0051840965
 1  3  -0.0053215941   0.0013633194  -0.0014398575  -0.0007816142  -0.0021150938
 1  4   0.0021458027   0.0001192634   0.0000261855  -0.0014903153  -0.0039818623
 1  5  -0.0040326430  -0.2468213051  -0.0461735340  -0.1311193706  -0.0911157123
 1  6  -0.0068209575   0.0311077547  -0.0029079084  -0.0053540910  -0.0011365525
 1  7   0.0017383480   0.0025600286   0.0009483856  -0.0001352664  -0.0000357598
 1  8   0.0004318131  -0.0080287817  -0.0379682446  -0.0001355477   0.0019817182
 1  9   0.0014394176   0.0008762002  -0.0041655234  -0.0021078900  -0.0037582734
 1 10  -0.0948963544   0.0105761891  -0.0201088442   0.0000948999   0.0001977069
 1 11  -0.0000414604   0.0005714523  -0.0012428317   0.0001559640  -0.0002263318
 1 12   0.0017519813   0.0000165358   0.0003214448  -0.0011918806   0.0009916110
 1 13   0.0000612789  -0.0038678011   0.0010420781  -0.0010680032   0.0008901596
 1 14   0.0006754328   0.0002018487  -0.0001290599   0.0001169123   0.0064919856
 1 15   0.0017782393  -0.0098148495
 2  1   0.0487146916   0.5869144960   0.0296679787   0.0254889925  -0.0797605823
 2  2  -0.0168695417  -0.0099548888   0.0138814928   0.0094708261   0.0377014405
 2  3  -0.0356089394  -0.0053413594  -0.0079167549   0.0033903064   0.0036111940
 2  4   0.0014771286  -0.0001048460   0.0003712769  -0.0077540543  -0.0049675912
 2  5  -0.0032573572  -0.0547181164  -0.0735435403  -0.0439531388   0.0075903872
 2  6  -0.1089910015  -0.0027151791  -0.0049855884   0.0070585901   0.0060408377
 2  7   0.0069919737  -0.0026848714  -0.0003861054  -0.0003256940  -0.0004717379
 2  8  -0.0002009077  -0.0212596047  -0.0393666280  -0.0109261188   0.0052132210
 2  9   0.0044798446   0.0038794372   0.0008649532  -0.0002076641   0.0011237239
 2 10  -0.0175530804  -0.2471634418  -0.0266042548  -0.0000902262  -0.0002034299
 2 11  -0.0000203663   0.0007339231   0.0016140098  -0.0000931927   0.0005823904
 2 12   0.0030667453  -0.0022326951   0.0003547850  -0.0030599550   0.0026135153
 2 13  -0.0024378717  -0.0076916732   0.0018488881  -0.0018788129   0.0020767923
 2 14  -0.0001757057  -0.0009748683  -0.0003419701   0.0002327954  -0.0058643260
 2 15  -0.0183144053   0.0539154494
 3  1   0.1143620592   0.0296679787   0.6179067781   0.0232867023  -0.0257003746
 3  2  -0.0988848907  -0.0180986483   0.0137097492   0.0143818578  -0.0049198028
 3  3   0.0031060970  -0.0077320063   0.0360940984  -0.0147868862  -0.0096630300
 3  4  -0.0023297212   0.0004031549  -0.0036400725  -0.0068152284  -0.0019499159
 3  5  -0.0045391308  -0.1326942488  -0.0406599410  -0.1565424912   0.0205327261
 3  6   0.0557258705  -0.2481285674   0.0019849343   0.0010327229   0.0002787361
 3  7  -0.0003620604   0.0001002740  -0.0011049123   0.0006826594   0.0004138083
 3  8  -0.0004699073  -0.0021623233  -0.0295418414   0.0072279375  -0.0013187398
 3  9  -0.0021867370  -0.0038705233  -0.0050606722  -0.0030703183  -0.0046988692
 3 10  -0.0212993907   0.0089915595  -0.0888524377   0.0001564964   0.0002298849
 3 11  -0.0000346293   0.0001554828  -0.0016933235   0.0004924876   0.0006404718
 3 12   0.0012992553  -0.0009723283   0.0000709503   0.0000282496   0.0013402353
 3 13   0.0004828224   0.0029167617  -0.0009086222  -0.0017007865   0.0005468772
 3 14   0.0007533702   0.0001503017   0.0000589817   0.0000860619  -0.0018380829
 3 15   0.0013581124  -0.0124250463
 4  1  -0.1899652754   0.0254889925   0.0232867023   0.5751721464  -0.0134051748
 4  2  -0.0332522310  -0.1398826782  -0.0162703032  -0.0453707477  -0.1053334407
 4  3  -0.0373524810   0.0155715352  -0.0735551243  -0.0029786602   0.0420052333
 4  4   0.0020506318  -0.0007453294  -0.0001569682  -0.0511113023  -0.0130360895
 4  5  -0.0202165091  -0.0270001332   0.0145852172   0.0126989124  -0.0062254131
 4  6   0.0019059376   0.0108578192   0.0019881540  -0.0075151490   0.0016861454
 4  7   0.0024451852   0.0045714632   0.0001971015   0.0001600814   0.0005320883
 4  8  -0.0001084471   0.0072861462   0.0011336959   0.0035060437  -0.0007283781
 4  9  -0.0002116204  -0.0004481712  -0.0009046277   0.0000440348  -0.0002674442
 4 10   0.0066803094  -0.0098294120  -0.0064677423  -0.0001082913   0.0003638567
 4 11  -0.0000249098  -0.0000617467  -0.0005236431   0.0000735639  -0.0004276159
 4 12   0.0001341814   0.0000009636   0.0001890460   0.0004237689  -0.0003666880
 4 13   0.0051528956   0.0474923993  -0.0091908375  -0.0059138466   0.0048865148
 4 14   0.0027581354   0.0007668968   0.0008001857   0.0004348943  -0.0006736192
 4 15  -0.0004944736   0.0027936459
 5  1   0.0286919833  -0.0797605823  -0.0257003746  -0.0134051748   0.5692011462
 5  2  -0.0254958253  -0.0358132832  -0.0993144477  -0.0283206855   0.0216238677
 5  3  -0.2410855863   0.0295659519  -0.0038947055  -0.0650186207   0.0403456091
 5  4   0.0078291824   0.0034773778   0.0075544887   0.0206484583   0.0021188641
 5  5   0.0085760213  -0.0107391271   0.0074067696   0.0022316557  -0.0074752631
 5  6   0.0000354371   0.0120590604  -0.0335574939  -0.0170050300  -0.0237025482
 5  7  -0.0000103073  -0.0067988480   0.0016391691  -0.0002519005   0.0006948580
 5  8   0.0003970111   0.0052792338   0.0005487197  -0.0011738284  -0.0004808561
 5  9  -0.0002713754  -0.0002150516  -0.0005702172  -0.0003579976   0.0000052887
 5 10   0.0320146355  -0.0438551616  -0.0085938290  -0.0002125819   0.0004846992
 5 11   0.0000147662  -0.0000343938   0.0000421950   0.0001244676  -0.0002370010
 5 12   0.0005942608   0.0000568420   0.0004165433  -0.0002460587  -0.0001720887
 5 13  -0.0087216244  -0.0303511123   0.0090928460   0.0041448433  -0.0027656818
 5 14  -0.0010956308  -0.0008704248  -0.0005727366  -0.0015836901  -0.0043743932
 5 15   0.0027989116   0.0043903744
 6  1   0.0095706798  -0.0168695417  -0.0988848907  -0.0332522310  -0.0254958253
 6  2   0.7027313251  -0.0563634074  -0.0228843605  -0.1434095039   0.0082815945
 6  3   0.0364243367  -0.0822625362   0.0424024419   0.0386941255  -0.3375559407
 6  4  -0.0321543011  -0.0170105136  -0.0226999250   0.0181525155   0.0062763232
 6  5   0.0081803727  -0.0209625032   0.0092704481   0.0100819870   0.0421087801
 6  6  -0.0087305756  -0.0423370691   0.0056031421  -0.0015193677   0.0025178136
 6  7   0.0019809615   0.0028454629   0.0009593628   0.0009458079   0.0020127640
 6  8  -0.0002023781  -0.0003116548  -0.0016907848  -0.0029718879   0.0002802927
 6  9  -0.000053 hondo
o  4,7,9,11,16,19                                                              \
   basis =o 3-21g hondo
h  5-6,8,12,14,17-18,20-24                                                     \
   basis =h 3-21g hondo
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=8850
   natoms=24
   nshell=84
   nbf(CAO)=132
   nbf(AO)=132
   dim(trafo[SAO<-->AO/CAO])=132
   rhfshells=1
$scfmo    file=mos
$closed shells
 a       1-48                                   ( 2 )
$scfiterlimit       30
$scfconv        7
$thize     0.10000000E-04
$thime        5
$scfdamp   start=0.500  step=0.050  min=0.100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$optimize
   internal   on
   redundant  on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=33  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit off
   diag=default
$energy    file=energy
$grad    file=gradient
$forceapprox    file=forceapprox
$lock off
$last step     force
$last SCF energy change = -.83479165E-06
$maximum norm of cartesian gradient = 0.49949058E-03
$maximum norm of internal gradient = 0.34517127E-03
$orbital_max_rnorm 0.17669727373131E-04
$maxcor 500
$dipole
  x     0.60010931560956    y    -0.05375798215498    z    -0.03181229927210
   | dipole | =    1.5335783488  debye
$hessian (projected)
 1  1   0.6660519054   0.0487146916   0.1143620592  -0.1899652754   0.0286919833
 1  2   0.0095706798  -0.0425841461   0.0182574601   0.0105777036   0.0051840965
 1  3  -0.0053215941   0.0013633194  -0.0014398575  -0.0007816142  -0.0021150938
 1  4   0.0021458027   0.0001192634   0.0000261855  -0.0014903153  -0.0039818623
 1  5  -0.0040326430  -0.2468213051  -0.0461735340  -0.1311193706  -0.0911157123
 1  6  -0.0068209575   0.0311077547  -0.0029079084  -0.0053540910  -0.0011365525
 1  7   0.0017383480   0.0025600286   0.0009483856  -0.0001352664  -0.0000357598
 1  8   0.0004318131  -0.0080287817  -0.0379682446  -0.0001355477   0.0019817182
 1  9   0.0014394176   0.0008762002  -0.0041655234  -0.0021078900  -0.0037582734
 1 10  -0.0948963544   0.0105761891  -0.0201088442   0.0000948999   0.0001977069
 1 11  -0.0000414604   0.0005714523  -0.0012428317   0.0001559640  -0.0002263318
 1 12   0.0017519813   0.0000165358   0.0003214448  -0.0011918806   0.0009916110
 1 13   0.0000612789  -0.0038678011   0.0010420781  -0.0010680032   0.0008901596
 1 14   0.0006754328   0.0002018487  -0.0001290599   0.0001169123   0.0064919856
 1 15   0.0017782393  -0.0098148495
 2  1   0.0487146916   0.5869144960   0.0296679787   0.0254889925  -0.0797605823
 2  2  -0.0168695417  -0.0099548888   0.0138814928   0.0094708261   0.0377014405
 2  3  -0.0356089394  -0.0053413594  -0.0079167549   0.0033903064   0.0036111940
 2  4   0.0014771286  -0.0001048460   0.0003712769  -0.0077540543  -0.0049675912
 2  5  -0.0032573572  -0.0547181164  -0.0735435403  -0.0439531388   0.0075903872
 2  6  -0.1089910015  -0.0027151791  -0.0049855884   0.0070585901   0.0060408377
 2  7   0.0069919737  -0.0026848714  -0.0003861054  -0.0003256940  -0.0004717379
 2  8  -0.0002009077  -0.0212596047  -0.0393666280  -0.0109261188   0.0052132210
 2  9   0.0044798446   0.0038794372   0.0008649532  -0.0002076641   0.0011237239
 2 10  -0.0175530804  -0.2471634418  -0.0266042548  -0.0000902262  -0.0002034299
 2 11  -0.0000203663   0.0007339231   0.0016140098  -0.0000931927   0.0005823904
 2 12   0.0030667453  -0.0022326951   0.0003547850  -0.0030599550   0.0026135153
 2 13  -0.0024378717  -0.0076916732   0.0018488881  -0.0018788129   0.0020767923
 2 14  -0.0001757057  -0.0009748683  -0.0003419701   0.0002327954  -0.0058643260
 2 15  -0.0183144053   0.0539154494
 3  1   0.1143620592   0.0296679787   0.6179067781   0.0232867023  -0.0257003746
 3  2  -0.0988848907  -0.0180986483   0.0137097492   0.0143818578  -0.0049198028
 3  3   0.0031060970  -0.0077320063   0.0360940984  -0.0147868862  -0.0096630300
 3  4  -0.0023297212   0.0004031549  -0.0036400725  -0.0068152284  -0.0019499159
 3  5  -0.0045391308  -0.1326942488  -0.0406599410  -0.1565424912   0.0205327261
 3  6   0.0557258705  -0.2481285674   0.0019849343   0.0010327229   0.0002787361
 3  7  -0.0003620604   0.0001002740  -0.0011049123   0.0006826594   0.0004138083
 3  8  -0.0004699073  -0.0021623233  -0.0295418414   0.0072279375  -0.0013187398
 3  9  -0.0021867370  -0.0038705233  -0.0050606722  -0.0030703183  -0.0046988692
 3 10  -0.0212993907   0.0089915595  -0.0888524377   0.0001564964   0.0002298849
 3 11  -0.0000346293   0.0001554828  -0.0016933235   0.0004924876   0.0006404718
 3 12   0.0012992553  -0.0009723283   0.0000709503   0.0000282496   0.0013402353
 3 13   0.0004828224   0.0029167617  -0.0009086222  -0.0017007865   0.0005468772
 3 14   0.0007533702   0.0001503017   0.0000589817   0.0000860619  -0.0018380829
 3 15   0.0013581124  -0.0124250463
 4  1  -0.1899652754   0.0254889925   0.0232867023   0.5751721464  -0.0134051748
 4  2  -0.0332522310  -0.1398826782  -0.0162703032  -0.0453707477  -0.1053334407
 4  3  -0.0373524810   0.0155715352  -0.0735551243  -0.0029786602   0.0420052333
 4  4   0.0020506318  -0.0007453294  -0.0001569682  -0.0511113023  -0.0130360895
 4  5  -0.0202165091  -0.0270001332   0.0145852172   0.0126989124  -0.0062254131
 4  6   0.0019059376   0.0108578192   0.0019881540  -0.0075151490   0.0016861454
 4  7   0.0024451852   0.0045714632   0.0001971015   0.0001600814   0.0005320883
 4  8  -0.0001084471   0.0072861462   0.0011336959   0.0035060437  -0.0007283781
 4  9  -0.0002116204  -0.0004481712  -0.0009046277   0.0000440348  -0.0002674442
 4 10   0.0066803094  -0.0098294120  -0.0064677423  -0.0001082913   0.0003638567
 4 11  -0.0000249098  -0.0000617467  -0.0005236431   0.0000735639  -0.0004276159
 4 12   0.0001341814   0.0000009636   0.0001890460   0.0004237689  -0.0003666880
 4 13   0.0051528956   0.0474923993  -0.0091908375  -0.0059138466   0.0048865148
 4 14   0.0027581354   0.0007668968   0.0008001857   0.0004348943  -0.0006736192
 4 15  -0.0004944736   0.0027936459
 5  1   0.0286919833  -0.0797605823  -0.0257003746  -0.0134051748   0.5692011462
 5  2  -0.0254958253  -0.0358132832  -0.0993144477  -0.0283206855   0.0216238677
 5  3  -0.2410855863   0.0295659519  -0.0038947055  -0.0650186207   0.0403456091
 5  4   0.0078291824   0.0034773778   0.0075544887   0.0206484583   0.0021188641
 5  5   0.0085760213  -0.0107391271   0.0074067696   0.0022316557  -0.0074752631
 5  6   0.0000354371   0.0120590604  -0.0335574939  -0.0170050300  -0.0237025482
 5  7  -0.0000103073  -0.0067988480   0.0016391691  -0.0002519005   0.0006948580
 5  8   0.0003970111   0.0052792338   0.0005487197  -0.0011738284  -0.0004808561
 5  9  -0.0002713754  -0.0002150516  -0.0005702172  -0.0003579976   0.0000052887
 5 10   0.0320146355  -0.0438551616  -0.0085938290  -0.0002125819   0.0004846992
 5 11   0.0000147662  -0.0000343938   0.0000421950   0.0001244676  -0.0002370010
 5 12   0.0005942608   0.0000568420   0.0004165433  -0.0002460587  -0.0001720887
 5 13  -0.0087216244  -0.0303511123   0.0090928460   0.0041448433  -0.0027656818
 5 14  -0.0010956308  -0.0008704248  -0.0005727366  -0.0015836901  -0.0043743932
 5 15   0.0027989116   0.0043903744
 6  1   0.0095706798  -0.0168695417  -0.0988848907  -0.0332522310  -0.0254958253
 6  2   0.7027313251  -0.0563634074  -0.0228843605  -0.1434095039   0.0082815945
 6  3   0.0364243367  -0.0822625362   0.0424024419   0.0386941255  -0.3375559407
 6  4  -0.0321543011  -0.0170105136  -0.0226999250   0.0181525155   0.0062763232
 6  5   0.0081803727  -0.0209625032   0.0092704481   0.0100819870   0.0421087801
 6  6  -0.0087305756  -0.0423370691   0.0056031421  -0.0015193677   0.0025178136
 6  7   0.0019809615   0.0028454629   0.0009593628   0.0009458079   0.0020127640
 6  8  -0.0002023781  -0.0003116548  -0.0016907848  -0.0029718879   0.0002802927
 6  9  -0.000053 hondo
o  4,7,9,11,16,19                                                              \
   basis =o 3-21g hondo
h  5-6,8,12,14,17-18,20-24                                                     \
   basis =h 3-21g hondo
$pople   AO
$basis    file=basis
$rundimensions
   dim(fock,dens)=8850
   natoms=24
   nshell=84
   nbf(CAO)=132
   nbf(AO)=132
   dim(trafo[SAO<-->AO/CAO])=132
   rhfshells=1
$scfmo    file=mos
$closed shells
 a       1-48                                   ( 2 )
$scfiterlimit       30
$scfconv        7
$thize     0.10000000E-04
$thime        5
$scfdamp   start=0.500  step=0.050  min=0.100
$scfdump
$scfintunit
 unit=30       size=0        file=twoint
$scfdiis   start=0.5
$drvopt
   cartesian  on
   basis      off
   global     off
   hessian    on
   dipole     on
   nuclear polarizability
$interconversion  off
   qconv=1.d-7
   maxiter=25
$optimize
   internal   on
   redundant  on
   cartesian  off
   global     off
   basis      off   logarithm
$coordinateupdate
   dqmax=0.3
   interpolate  on
   statistics    5
$forceupdate
   ahlrichs numgeo=33  mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
   threig=0.005  reseig=0.005  thrbig=3.0  scale=1.00  damping=0.0
$forceinit off
   diag=default
$energy    file=energy
$grad    file=gradient
$forceapprox    file=forceapprox
$lock off
$last step     force
$last SCF energy change = -.83479165E-06
$maximum norm of cartesian gradient = 0.49949058E-03
$maximum norm of internal gradient = 0.34517127E-03
$orbital_max_rnorm 0.17669727373131E-04
$maxcor 500
$dipole
  x     0.60010931560956    y    -0.05375798215498    z    -0.03181229927210
   | dipole | =    1.5335783488  debye
$hessian (projected)
 1  1   0.6660519054   0.0487146916   0.1143620592  -0.1899652754   0.0286919833
 1  2   0.0095706798  -0.0425841461   0.0182574601   0.0105777036   0.0051840965
 1  3  -0.0053215941   0.0013633194  -0.0014398575  -0.0007816142  -0.0021150938
 1  4   0.0021458027   0.0001192634   0.0000261855  -0.0014903153  -0.0039818623
 1  5  -0.0040326430  -0.2468213051  -0.0461735340  -0.1311193706  -0.0911157123
 1  6  -0.0068209575   0.0311077547  -0.0029079084  -0.0053540910  -0.0011365525
 1  7   0.0017383480   0.0025600286   0.0009483856  -0.0001352664  -0.0000357598
 1  8   0.0004318131  -0.0080287817  -0.0379682446  -0.0001355477   0.0019817182
 1  9   0.0014394176   0.0008762002  -0.0041655234  -0.0021078900  -0.0037582734
 1 10  -0.0948963544   0.0105761891  -0.0201088442   0.0000948999   0.0001977069
 1 11  -0.0000414604   0.0005714523  -0.0012428317   0.0001559640  -0.0002263318
 1 12   0.0017519813   0.0000165358   0.0003214448  -0.0011918806   0.0009916110
 1 13   0.0000612789  -0.0038678011   0.0010420781  -0.0010680032   0.0008901596
 1 14   0.0006754328   0.0002018487  -0.0001290599   0.0001169123   0.0064919856
 1 15   0.0017782393  -0.0098148495
 2  1   0.0487146916   0.5869144960   0.0296679787   0.0254889925  -0.0797605823
 2  2  -0.0168695417  -0.0099548888   0.0138814928   0.0094708261   0.0377014405
 2  3  -0.0356089394  -0.0053413594  -0.0079167549   0.0033903064   0.0036111940
 2  4   0.0014771286  -0.0001048460   0.0003712769  -0.0077540543  -0.0049675912
 2  5  -0.0032573572  -0.0547181164  -0.0735435403  -0.0439531388   0.0075903872
 2  6  -