%mem=120GB
%nproc=24
#p B3LYP/genecp freq=projected scrf=(smd,solvent=Dichloromethane) EmpiricalDispersion=GD3 SCF=XQC

Title Card Required

0 3
29      -1.075671020     -0.266705420     -0.731183870
7        0.897698300     -0.879244030     -1.435123580
7        1.965354880     -0.395269230     -0.741695880
7       -0.340839790      1.704179640     -0.772126600
7        0.939615160      1.893989020     -0.325177450
7       -0.288038060     -0.188794870      1.430815270
7        1.014191350      0.190318370      1.544618950
5        1.770040970      0.738807960      0.302028050
6        1.349951840     -1.837363930     -2.234620510
6        2.738947380     -2.012649240     -2.070816690
6        3.084872120     -1.066452870     -1.106479020
6       -0.789738030      2.887890790     -1.177560350
6        0.190297460      3.884947650     -1.010211940
6        1.272511560      3.202347360     -0.462917700
6       -0.694694290     -0.546095070      2.641329770
6        0.347076820     -0.423315600      3.583796480
6        1.419017600      0.055565030      2.832923280
1        2.828688950      1.147416470      0.635406930
7       -2.373513230     -1.746638570     -0.804232730
16      -3.501013390     -1.684110550     -2.068144900
8       -3.725128730     -3.008519360     -2.673455300
8       -3.033870490     -0.574041200     -2.918842720
6       -5.005018220     -1.150851460     -1.264048040
6       -6.181216640     -1.875637300     -1.439520340
6       -4.967600550     -0.007860590     -0.456554170
6       -7.343095210     -1.441551350     -0.797532200
1       -6.183078360     -2.769772070     -2.053149810
6       -6.132255230      0.404121600      0.181496090
1       -4.038056760      0.532763100     -0.317018560
6       -7.338366670     -0.303024400      0.019072780
1       -8.264794140     -2.002121630     -0.929043460
1       -6.110529060      1.287041650      0.815223900
6       -8.589301720      0.168079930      0.716340400
1       -8.863764170      1.177177620      0.386484750
1       -9.435902900     -0.494758840      0.519384910
1       -8.438535150      0.217519380      1.800833680
6        0.350952250     -3.363413070      0.833744120
6        1.375201270     -4.023420580      0.192495350
1        1.222864960     -4.483471330     -0.778329170
6       -0.876780820     -3.195034570      0.255979900
6       -2.112566670     -2.953169360     -0.184073630
35      -2.468013020     -1.123212220      2.931806930
35      -2.536727380      3.087203690     -1.856479770
35       0.175277160     -2.789693050     -3.357324130
35       3.870354920     -3.231094380     -2.956042500
35       4.793124520     -0.728369670     -0.389755270
35       3.155096860      0.467467130      3.437807840
35       0.302417890     -0.806067390      5.428813920
35       0.067419210      5.718094900     -1.426132180
35       2.943384090      3.922350810      0.027140530
1        0.536530330     -2.924220330      1.815270150
6       -3.140950160     -3.992644750      0.118989700
6       -2.907042680     -5.340845250     -0.188317700
6       -4.324887070     -3.620623030      0.775417520
6       -3.857088100     -6.306125800      0.142543150
6       -5.272468690     -4.589335610      1.100095680
6       -5.041041740     -5.932428550      0.784846960
1       -1.989520770     -5.620115770     -0.697206700
1       -4.499461350     -2.579800290      1.020235730
1       -3.676079040     -7.347830150     -0.105134190
1       -6.190676720     -4.294819130      1.599648180
1       -5.781497210     -6.685094730      1.040081650
1        2.360261330     -4.091922430      0.644759390

-Cu 0
LANL2DZ
****
-Br 0
LANL2DZ
P 1 1.000
0.03760 1.000
D 1 1.000
0.43400 1.000
****
-C N H B O S 0
6-31G(d,p)
****

Cu Br 0
LANL2DZ



