%nproc=24
%mem=122200MB
#p b3lyp/gen opt freq empiricaldispersion=GD3 nosymm scrf=(SMD,solvent=dichloromethane) pseudo=(read)

Title Card Required

0 1
29           0       -2.473162   -1.557835    1.666490
 7           0       -3.854647   -1.275649    3.219831
 6           0       -5.110739   -0.793138    3.153892
 6           0       -4.711807   -1.346162    5.272496
 6           0       -5.695880   -0.820133    4.441375
 1           0       -4.711760   -1.537319    6.334611
 1           0       -6.690075   -0.503385    4.713487
 7           0       -1.541361    0.418656    4.644336
 6           0       -0.633048    1.271047    5.167373
 6           0        0.181017    0.593388    6.116801
 6           0       -0.306933   -0.705591    6.140014
 1           0        0.978473    1.008016    6.712707
 1           0       -0.012256   -1.557569    6.734236
 7           0       -1.617582   -3.114579    2.729048
 6           0       -0.934847   -4.209721    2.322345
 6           0       -0.391791   -4.872096    3.448003
 6           0       -0.813933   -4.129036    4.542522
 1           0        0.187740   -5.780990    3.448586
 1           0       -0.661774   -4.286553    5.598874
 7           0       -3.617238   -1.617766    4.510668
 7           0       -1.552151   -3.080674    4.088835
 7           0       -1.337493   -0.778456    5.245993
 1           0       -2.358660   -2.574025    6.093527
 6           0       -2.534628   -0.424370    0.113817
 6           0       -2.880322   -2.055744   -1.630479
 1           0       -2.410642   -2.676825   -0.868443
 1           0       -2.283622   -2.142053   -2.538967
 5           0       -2.230446   -2.029190    5.023842
 6           0       -4.322883   -2.491975   -1.872766
 1           0       -4.797101   -1.909453   -2.670441
 1           0       -4.918852   -2.369991   -0.963863
 1           0       -4.342700   -3.546673   -2.167895
 6           0       -0.596141    2.701232    4.778007
 6           0       -1.788659    3.477113    4.811501
 6           0        0.616992    3.319356    4.389606
 6           0       -1.748004    4.817840    4.407091
 6           0        0.614057    4.670406    4.002153
 6           0       -0.556178    5.436163    3.994644
 1           0       -2.664039    5.403128    4.437388
 1           0        1.551841    5.130382    3.699415
 6           0       -0.901202   -4.675042    0.916025
 6           0       -2.111755   -5.013781    0.257088
 6           0        0.337954   -4.898912    0.263316
 6           0       -2.055645   -5.586280   -1.023918
 6           0        0.345803   -5.465631   -1.020089
 6           0       -0.838535   -5.836236   -1.674055
 1           0       -2.984773   -5.869338   -1.512199
 1           0        1.300558   -5.642450   -1.510049
 6           0       -5.669895   -0.336318    1.857625
 6           0       -6.558401   -1.170858    1.139892
 6           0       -5.283340    0.914680    1.322605
 6           0       -7.057752   -0.735281   -0.095951
 6           0       -5.803859    1.313450    0.080764
 6           0       -6.690613    0.504291   -0.642544
 1           0       -7.737763   -1.379455   -0.648411
 1           0       -5.507812    2.276794   -0.327754
 6           0       -3.085219    2.908076    5.349209
 1           0       -2.949750    2.536227    6.373515
 1           0       -3.438884    2.060074    4.761950
 1           0       -3.867158    3.674412    5.368287
 6           0        1.936124    2.576000    4.377084
 1           0        1.806230    1.520260    4.133882
 1           0        2.431472    2.617850    5.356845
 1           0        2.624549    3.018427    3.649447
 6           0       -0.545724    6.887741    3.571912
 1           0       -1.211155    7.061593    2.717327
 1           0        0.458300    7.215376    3.283312
 1           0       -0.888942    7.542469    4.383610
 6           0        1.662365   -4.579221    0.924743
 1           0        2.049942   -5.445541    1.478117
 1           0        1.586511   -3.755807    1.636102
 1           0        2.413564   -4.309451    0.176028
 6           0       -3.461995   -4.794953    0.907268
 1           0       -3.747036   -3.735555    0.895319
 1           0       -3.462754   -5.099761    1.959153
 1           0       -4.242517   -5.356166    0.383289
 6           0       -0.790171   -6.514611   -3.024824
 1           0       -0.288904   -7.488798   -2.955344
 1           0       -0.232717   -5.919386   -3.758047
 1           0       -1.793751   -6.686621   -3.426240
 6           0       -4.335721    1.823709    2.072353
 1           0       -4.838726    2.297716    2.924554
 1           0       -3.959090    2.623591    1.426597
 1           0       -3.479519    1.275178    2.474487
 6           0       -6.935062   -2.534572    1.677458
 1           0       -7.463721   -2.462676    2.635186
 1           0       -6.043028   -3.147731    1.858467
 1           0       -7.580212   -3.071756    0.974850
 6           0       -7.204817    0.929058   -1.999563
 1           0       -7.033016    1.995620   -2.179404
 1           0       -8.279657    0.738211   -2.101832
 1           0       -6.704230    0.374260   -2.806164
 1           0       -2.502408    0.656694    0.275344
 7           0       -2.784175   -0.667005   -1.146541
 6           0       -3.110207    0.421424   -2.112717
 1           0       -4.196988    0.556639   -2.086864
 6           0       -2.632903    0.174469   -3.537052
 1           0       -2.802544    1.084599   -4.123314
 1           0       -1.564658   -0.041159   -3.575410
 1           0       -3.175301   -0.641391   -4.024817
 1           0       -2.644619    1.327930   -1.721244
29           0        2.653036    1.086376   -2.243832
 7           0        3.113571    0.399799   -4.312870
 6           0        2.520851   -0.310304   -5.295103
 6           0        4.369380    0.597518   -6.149132
 6           0        3.289765   -0.209321   -6.483399
 1           0        5.212000    0.932776   -6.734230
 1           0        3.084176   -0.675508   -7.433322
 7           0        4.721599    0.560058   -1.773194
 6           0        5.416211   -0.164827   -0.868078
 6           0        6.768882   -0.270770   -1.273315
 6           0        6.845122    0.436037   -2.465326
 1           0        7.564515   -0.773499   -0.747325
 1           0        7.679518    0.631988   -3.120871
 7           0        3.379559    3.075269   -2.804211
 6           0        3.051805    4.362505   -2.565024
 6           0        4.032836    5.215315   -3.124169
 6           0        4.960349    4.362616   -3.713857
 1           0        4.044756    6.293488   -3.102713
 1           0        5.867010    4.570901   -4.261334
 7           0        4.233948    0.950176   -4.842501
 7           0        4.542345    3.085335   -3.505941
 7           0        5.608317    0.924849   -2.741041
 1           0        6.191752    2.032761   -4.609236
 6           0        0.577875    0.038507   -0.979063
 6           0        0.675724    1.099053   -1.934128
 8           0       -0.126739    1.786206   -2.535497
 6           0        1.110584   -1.058474    1.101279
 1           0        2.176902   -1.251583    0.948265
 1           0        0.547298   -1.884371    0.657550
 5           0        5.205298    1.773351   -3.970045
 6           0        0.783657   -0.974049    2.583210
 1           0       -0.251335   -0.675562    2.748161
 1           0        1.431916   -0.274394    3.110030
 1           0        0.926783   -1.957304    3.038098
 6           0        4.857331   -0.660145    0.410978
 6           0        4.814923   -2.046870    0.684079
 6           0        4.485769    0.269205    1.414546
 6           0        4.419959   -2.480875    1.960425
 6           0        4.119330   -0.204424    2.681170
 6           0        4.085181   -1.576200    2.976875
 1           0        4.376789   -3.547546    2.163559
 1           0        3.852109    0.511109    3.453833
 6           0        1.799356    4.713600   -1.852615
 6           0        0.576693    4.694501   -2.560704
 6           0        1.819187    5.034602   -0.476427
 6           0       -0.613688    4.962391   -1.869462
 6           0        0.607733    5.295651    0.180108
 6           0       -0.619809    5.250575   -0.497698
 1           0       -1.556481    4.919338   -2.409341
 1           0        0.618253    5.509902    1.244633
 6           0        1.288705   -1.103410   -5.085958
 6           0        0.166200   -0.894796   -5.928276
 6           0        1.243338   -2.120001   -4.099089
 6           0       -0.948570   -1.734960   -5.806615
 6           0        0.088921   -2.913437   -3.985559
 6           0       -1.004086   -2.757174   -4.849635
 1           0       -1.800985   -1.575074   -6.462740
 1           0        0.054800   -3.678371   -3.215740
 6           0        5.177417   -3.062165   -0.378524
 1           0        6.248148   -3.040677   -0.613487
 1           0        4.646652   -2.865930   -1.317232
 1           0        4.931448   -4.077414   -0.051466
 6           0        4.490668    1.753500    1.127156
 1           0        3.782428    2.001555    0.330315
 1           0        5.474508    2.094596    0.781443
 1           0        4.222298    2.328915    2.017811
 6           0        3.690587   -2.058153    4.354464
 1           0        3.358282   -3.101877    4.335121
 1           0        2.876496   -1.454976    4.771326
 1           0        4.534150   -1.994779    5.055709
 6           0        3.123933    5.104860    0.287627
 1           0        3.662014    6.037996    0.071947
 1           0        3.797225    4.285543    0.019993
 1           0        2.948996    5.068572    1.368228
 6           0        0.552408    4.370349   -4.036904
 1           0        1.000038    3.389964   -4.225743
 1           0        1.118836    5.109701   -4.618578
 1           0       -0.473763    4.349413   -4.416928
 6           0       -1.915963    5.500538    0.240972
 1           0       -2.131385    6.575094    0.324232
 1           0       -1.879441    5.093777    1.257811
 1           0       -2.764841    5.039931   -0.277245
 6           0        2.421033   -2.403111   -3.189166
 1           0        3.352620   -2.501530   -3.758951
 1           0        2.258304   -3.328105   -2.626499
 1           0        2.590893   -1.593752   -2.471524
 6           0        0.136665    0.230898   -6.940834
 1           0        0.716211   -0.005689   -7.841537
 1           0        0.556895    1.152513   -6.524122
 1           0       -0.891212    0.437819   -7.257184
 6           0       -2.211549   -3.664533   -4.760527
 1           0       -2.189861   -4.430639   -5.547616
 1           0       -3.145352   -3.103093   -4.886292
 1           0       -2.254730   -4.183592   -3.799210
 1           0        0.583792   -0.963269   -1.403336
 7           0        0.729538    0.150677    0.340540
 6           0        0.864187    1.494105    0.920099
 1           0        1.488082    1.415710    1.809465
 6           0       -0.472294    2.151970    1.255329
 1           0       -0.297788    3.126993    1.714705
 1           0       -1.058732    2.309111    0.345402
 1           0       -1.043883    1.541605    1.958983
 1           0        1.417767    2.106241    0.191177

-B -N -O 0
6-31+g*
****
-H -C 0
6-31g
****
24 25 29 95 97 125 126 128 132 198 200 0
SP   1   1.00
      0.0438000              1.0000000              1.0000000
D   1   1.00
      0.8000000              1.0000000
****
-Cu 0
lanl2dz
F  1  1.0
3.525    1.0000
*****

-Cu 0
lanl2dz












