%mem=120GB
%nproc=28
#p B3LYP/genecp freq=NoRaman scrf=(smd,solvent=Dichloromethane) EmpiricalDispersion=GD3 SCF=XQC

Title Card Required

0 1
29      -1.115543000     -0.149377000     -0.114576000
7        0.467546000     -0.452402000     -1.654524000
7        1.726739000     -0.181286000     -1.214606000
7       -0.299102000      1.881832000     -0.204546000
7        1.058332000      1.955066000     -0.052733000
7        0.183854000     -0.313187000      1.617993000
7        1.505612000     -0.106865000      1.346971000
5        1.928114000      0.669983000      0.068245000
6        0.587069000     -1.049109000     -2.833944000
6        1.942961000     -1.203541000     -3.186514000
6        2.631994000     -0.628448000     -2.120609000
6       -0.737054000      3.124770000     -0.358885000
6        0.324199000      4.049723000     -0.304116000
6        1.448932000      3.253869000     -0.109043000
6        0.111582000     -0.767300000      2.862905000
6        1.393645000     -0.895757000      3.432533000
6        2.249543000     -0.459433000      2.425795000
1        3.068691000      0.969955000      0.159730000
7       -2.495245000     -1.629104000     -0.500640000
16      -3.936021000     -1.300174000     -1.179561000
8       -4.355951000     -3.131726000     -1.240185000
8       -4.200870000     -1.078039000     -2.620890000
6       -4.499676000      0.167855000     -0.326047000
6       -4.210180000      0.298250000      1.038182000
6       -5.349529000      1.065778000     -0.982635000
6       -4.724612000      1.388251000      1.731538000
1       -3.575857000     -0.427476000      1.534295000
6       -5.870071000      2.136528000     -0.261416000
1       -5.579857000      0.933827000     -2.033332000
6       -5.564490000      2.319533000      1.098823000
1       -4.480700000      1.513588000      2.782723000
1       -6.523902000      2.845273000     -0.762263000
6       -6.108106000      3.505395000      1.850518000
1       -6.110452000      3.330262000      2.929808000
1       -5.489793000      4.392680000      1.661659000
1       -7.126632000      3.746778000      1.531295000
6       -3.576526000     -5.190870000     -0.362188000
6       -2.655172000     -6.153799000     -0.216511000
1       -1.592640000     -5.970245000     -0.331499000
6       -3.329522000     -3.793178000     -0.708679000
6       -2.238608000     -2.986026000     -0.403318000
35      -1.552142000     -1.083261000      3.694665000
35      -2.571515000      3.459940000     -0.626460000
35      -0.947855000     -1.592888000     -3.786589000
35       2.661056000     -2.000897000     -4.735816000
35       4.497219000     -0.474688000     -1.903267000
35       4.130667000     -0.376833000      2.474033000
35       1.848403000     -1.527330000      5.147928000
35       0.240905000      5.926585000     -0.456986000
35       3.238204000      3.824419000      0.059859000
1       -4.634606000     -5.433675000     -0.286915000
6       -1.001761000     -3.414262000      0.296893000
6       -1.059404000     -3.832197000      1.634505000
6        0.235601000     -3.393666000     -0.360264000
6        0.106504000     -4.191530000      2.309694000
6        1.403515000     -3.743763000      0.319048000
6        1.341977000     -4.136377000      1.658194000
1       -2.017442000     -3.868858000      2.141112000
1        0.282377000     -3.107534000     -1.402055000
1        0.051594000     -4.502093000      3.348742000
1        2.356689000     -3.713433000     -0.200851000
1        2.250069000     -4.404722000      2.190359000
1       -2.960413000     -7.170629000      0.010226000

-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



