%nproc=24
%mem=122200MB
#p b3lyp/gen opt=(ts,calcfc,noeigentest,maxstep=3) freq empiricaldispersion=GD3 nosymm scrf=(SMD,solvent=toluene) pseudo=(read)

Title Card Required

0 1
 29           0        6.027392    0.463054   -1.310002
  7           0        4.475993    1.059321    0.004074
  6           0        3.288110    1.658974   -0.220288
  6           0        3.324247    1.046679    1.919182
  6           0        2.525282    1.671852    0.972321
  1           0        3.153194    0.846438    2.965941
  1           0        1.535720    2.080051    1.103796
  7           0        6.628882    2.552550    1.798384
  6           0        7.552025    3.326895    2.408062
  6           0        8.243586    2.572125    3.396407
  6           0        7.664299    1.310247    3.350296
  1           0        9.027644    2.913868    4.053750
  1           0        7.861073    0.423076    3.934198
  7           0        6.541024   -1.121433   -0.035281
  6           0        7.135024   -2.312576   -0.280894
  6           0        7.428924   -2.957601    0.943350
  6           0        6.951338   -2.100408    1.926739
  1           0        7.891696   -3.922854    1.073544
  1           0        6.936115   -2.201762    3.000988
  7           0        4.488397    0.681378    1.315145
  7           0        6.418635   -1.007465    1.315837
  7           0        6.701618    1.330618    2.380502
  1           0        5.353985   -0.296063    3.120222
  6           0        6.281995    1.579895   -2.968576
  6           0        5.653463   -0.108581   -4.603423
  1           0        6.272807   -0.694649   -3.922385
  1           0        6.098675   -0.164477   -5.600494
  5           0        5.723522    0.163403    2.065959
  6           0        4.226258   -0.661305   -4.611031
  1           0        3.598143   -0.177090   -5.365325
  1           0        3.752876   -0.524433   -3.634914
  1           0        4.256756   -1.732942   -4.833040
  6           0        7.691812    4.762910    2.065438
  6           0        6.541548    5.600487    2.047016
  6           0        8.958116    5.320766    1.759379
  6           0        6.678520    6.947818    1.684179
  6           0        9.048515    6.676919    1.400669
  6           0        7.921952    7.506404    1.349485
  1           0        5.794697    7.580718    1.674637
  1           0       10.023527    7.088595    1.151396
  6           0        7.281223   -2.869021   -1.645359
  6           0        6.111399   -3.122463   -2.413574
  6           0        8.547189   -3.254973   -2.145466
  6           0        6.235562   -3.752228   -3.658564
  6           0        8.627184   -3.869497   -3.408352
  6           0        7.484511   -4.145999   -4.169001
  1           0        5.337302   -3.969265   -4.230936
  1           0        9.602696   -4.166923   -3.785296
  6           0        2.874676    2.242380   -1.521670
  6           0        1.908107    1.571928   -2.311384
  6           0        3.339517    3.520988   -1.908779
  6           0        1.387829    2.211729   -3.446247
  6           0        2.781844    4.134424   -3.042984
  6           0        1.798102    3.503759   -3.816065
  1           0        0.641994    1.697833   -4.047748
  1           0        3.133932    5.122195   -3.331339
  6           0        5.173438    5.091150    2.453149
  1           0        5.220544    4.535980    3.397920
  1           0        4.754852    4.405408    1.712786
  1           0        4.475709    5.925512    2.581560
  6           0       10.231955    4.502288    1.797032
  1           0       10.071676    3.476328    1.458680
  1           0       10.640576    4.440075    2.814850
  1           0       11.001314    4.956668    1.165059
  6           0        8.033357    8.965018    0.966859
  1           0        7.246142    9.253342    0.260053
  1           0        9.001326    9.186793    0.505170
  1           0        7.929028    9.616588    1.845382
  6           0        9.819981   -3.084429   -1.343393
  1           0       10.060507   -4.004089   -0.792460
  1           0        9.749715   -2.280468   -0.608930
  1           0       10.666138   -2.870938   -2.003548
  6           0        4.734262   -2.775156   -1.888144
  1           0        4.581522   -1.692118   -1.840885
  1           0        4.587983   -3.153128   -0.869094
  1           0        3.954709   -3.199310   -2.528155
  6           0        7.573889   -4.905100   -5.472719
  1           0        7.258774   -5.948942   -5.336845
  1           0        8.596991   -4.920685   -5.861470
  1           0        6.922153   -4.470500   -6.237425
  6           0        4.398437    4.255500   -1.117018
  1           0        3.944903    4.977841   -0.426190
  1           0        5.060384    4.815523   -1.783379
  1           0        5.013399    3.576744   -0.525198
  6           0        1.428796    0.186816   -1.932764
  1           0        0.779001    0.213163   -1.048548
  1           0        2.267804   -0.475193   -1.687701
  1           0        0.861885   -0.269430   -2.750765
  6           0        1.244918    4.166104   -5.057422
  1           0        1.270503    5.258265   -4.974945
  1           0        0.210337    3.861421   -5.250259
  1           0        1.834232    3.892711   -5.944619
  1           0        6.192998    2.651873   -2.778493
  7           0        5.716756    1.287441   -4.142476
  6           0        4.920902    2.277546   -4.905891
  1           0        3.880624    2.158272   -4.591000
  6           0        5.007167    2.171896   -6.426419
  1           0        4.394416    2.973004   -6.857661
  1           0        6.031175    2.291138   -6.777735
  1           0        4.613745    1.222994   -6.803907
  1           0        5.253752    3.262998   -4.579881
 29           0       10.554105    2.385029   -4.730465
  7           0       11.137712    2.102126   -6.833440
  6           0       10.966484    1.099366   -7.721394
  6           0       12.830827    2.182302   -8.287181
  6           0       12.026633    1.108314   -8.660407
  1           0       13.733317    2.577851   -8.728671
  1           0       12.160242    0.442098   -9.498317
  7           0       12.581262    2.730141   -4.231376
  6           0       13.385994    2.481494   -3.173467
  6           0       14.572149    3.247787   -3.288660
  6           0       14.437307    3.949859   -4.479282
  1           0       15.407746    3.254718   -2.607405
  1           0       15.108724    4.632953   -4.977045
  7           0       10.618778    4.914077   -5.276020
  6           0        9.661572    5.830119   -5.539899
  6           0        9.942448    6.486118   -6.768325
  6           0       11.129736    5.919944   -7.215156
  1           0        9.371947    7.276598   -7.230507
  1           0       11.721230    6.116945   -8.097195
  7           0       12.271034    2.758627   -7.190534
  7           0       11.513339    4.988249   -6.297501
  7           0       13.236602    3.622375   -5.025405
  1           0       13.602447    4.559544   -7.034970
  6           0        8.253550    1.317352   -3.052198
  6           0        8.612464    2.067761   -4.387038
  8           0        7.815829    2.349035   -5.241804
  6           0        9.564386    0.528442   -1.161786
  1           0       10.629649    0.497917   -1.408937
  1           0        9.115983   -0.398968   -1.519975
  5           0       12.712800    4.026313   -6.421240
  6           0        9.367262    0.629608    0.345880
  1           0        8.313509    0.766069    0.586185
  1           0        9.934902    1.454365    0.783617
  1           0        9.714891   -0.294176    0.821010
  6           0       13.104974    1.446492   -2.151733
  6           0       12.985529    0.088768   -2.541059
  6           0       13.062347    1.791672   -0.777062
  6           0       12.868676   -0.897566   -1.548343
  6           0       12.925350    0.775972    0.180628
  6           0       12.836742   -0.576555   -0.183969
  1           0       12.795861   -1.938717   -1.849718
  1           0       12.886209    1.046850    1.232894
  6           0        8.576527    6.173074   -4.585666
  6           0        7.216919    6.026120   -4.953522
  6           0        8.902318    6.747717   -3.329992
  6           0        6.213690    6.469557   -4.074542
  6           0        7.872409    7.197938   -2.492910
  6           0        6.521142    7.077249   -2.848900
  1           0        5.171895    6.352786   -4.363922
  1           0        8.129563    7.641919   -1.536145
  6           0        9.747854    0.255078   -7.712357
  6           0        8.516875    0.836187   -8.107871
  6           0        9.804312   -1.114390   -7.366416
  6           0        7.367918    0.034173   -8.153720
  6           0        8.627013   -1.879475   -7.409676
  6           0        7.400730   -1.324206   -7.803434
  1           0        6.427824    0.478414   -8.468260
  1           0        8.674533   -2.930412   -7.141943
  6           0       12.949538   -0.316875   -3.998316
  1           0       13.738564    0.167799   -4.584708
  1           0       11.998185   -0.020424   -4.457213
  1           0       13.052545   -1.401249   -4.104640
  6           0       13.146635    3.235073   -0.328263
  1           0       12.474067    3.875541   -0.909907
  1           0       14.157283    3.642510   -0.451785
  1           0       12.879129    3.328670    0.728468
  6           0       12.657208   -1.649312    0.865471
  1           0       11.622192   -1.666245    1.233972
  1           0       13.304353   -1.475042    1.733092
  1           0       12.880981   -2.644164    0.466471
  6           0       10.337852    6.871189   -2.866206
  1           0       10.987085    7.285259   -3.646354
  1           0       10.751585    5.889580   -2.603830
  1           0       10.406781    7.513584   -1.982183
  6           0        6.825989    5.401153   -6.275389
  1           0        7.360168    4.461930   -6.442467
  1           0        7.056745    6.060891   -7.121099
  1           0        5.751936    5.189733   -6.301848
  6           0        5.438635    7.604359   -1.934130
  1           0        5.465005    8.701560   -1.884591
  1           0        5.566498    7.231140   -0.911741
  1           0        4.441657    7.313245   -2.280125
  6           0       11.109864   -1.782810   -6.990951
  1           0       11.618514   -2.181597   -7.879782
  1           0       10.937522   -2.623857   -6.310066
  1           0       11.802592   -1.087491   -6.510892
  6           0        8.433438    2.298594   -8.483201
  1           0        9.189897    2.567496   -9.230867
  1           0        8.607368    2.930992   -7.607482
  1           0        7.447693    2.542814   -8.891812
  6           0        6.139114   -2.158117   -7.825722
  1           0        6.331017   -3.169819   -8.199888
  1           0        5.370112   -1.702099   -8.459053
  1           0        5.715556   -2.257847   -6.817164
  1           0        8.291936    0.254609   -3.300285
  7           0        8.931857    1.613470   -1.919917
  6           0        9.322054    2.991339   -1.631566
  1           0        9.941533    2.973689   -0.735710
  6           0        8.148865    3.949093   -1.437365
  1           0        8.515682    4.906595   -1.061820
  1           0        7.634672    4.146291   -2.381235
  1           0        7.433408    3.549837   -0.713755
  1           0        9.963185    3.349704   -2.456854

-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












