%mem=120GB
%nproc=36
#p B3LYP/genecp freq=NoRaman scrf=(smd,solvent=Dichloromethane) EmpiricalDispersion=GD3 SCF=XQC

Title Card Required

0 1
29      -0.663565000     -0.097107000     -1.095096000
7        1.354441000     -1.017409000     -1.239820000
7        2.162230000     -0.755251000     -0.174872000
7        0.518077000      1.710946000     -1.037106000
7        1.546587000      1.700131000     -0.132343000
7       -0.621831000      0.224972000      1.150700000
7        0.634030000      0.190807000      1.676096000
5        1.854223000      0.452255000      0.753018000
6        1.969844000     -1.932242000     -1.976539000
6        3.193852000     -2.315955000     -1.392421000
6        3.272626000     -1.533003000     -0.243560000
6        0.515618000      2.913762000     -1.599478000
6        1.540874000      3.725575000     -1.076223000
6        2.169218000      2.906151000     -0.143922000
6       -1.469855000      0.208826000      2.169362000
6       -0.782643000      0.140526000      3.398565000
6        0.559956000      0.134351000      3.030313000
1        2.804564000      0.670551000      1.423375000
7       -2.202808000     -1.359338000     -1.469304000
16      -3.392579000     -0.920290000     -2.566656000
8       -4.211905000     -2.112552000     -2.898809000
8       -2.731984000     -0.168592000     -3.643092000
6       -4.439994000      0.201488000     -1.653290000
6       -5.599032000     -0.281641000     -1.044345000
6       -4.046394000      1.534486000     -1.505295000
6       -6.368567000      0.588887000     -0.270583000
1       -5.901272000     -1.312988000     -1.184888000
6       -4.832224000      2.390205000     -0.740405000
1       -3.139621000      1.887856000     -1.982861000
6       -6.000085000      1.931723000     -0.106224000
1       -7.276636000      0.221106000      0.200026000
1       -4.534845000      3.429379000     -0.626180000
6       -6.824371000      2.863800000      0.745604000
1       -6.962178000      3.833166000      0.254080000
1       -7.810724000      2.442537000      0.962438000
1       -6.324140000      3.056060000      1.703788000
6       -4.524048000     -4.179694000     -0.643691000
6       -5.730899000     -4.143539000     -0.015650000
1       -5.991232000     -3.317824000      0.640778000
6       -3.668648000     -3.090566000     -0.513129000
6       -2.536054000     -2.409657000     -0.675757000
35      -3.330292000      0.297187000      1.868485000
35      -0.744212000      3.368320000     -2.930330000
35       1.205613000     -2.549557000     -3.589176000
35       4.434317000     -3.593414000     -2.012137000
35       4.644680000     -1.521866000      1.047845000
35       2.066425000      0.039931000      4.158685000
35      -1.510143000      0.055972000      5.135740000
35       1.965884000      5.505236000     -1.529816000
35       3.641035000      3.346065000      0.949790000
1       -4.270120000     -5.006291000     -1.307644000
6       -1.516337000     -2.975150000      0.276579000
6       -1.695138000     -2.951104000      1.666303000
6       -0.355643000     -3.539535000     -0.276078000
6       -0.684549000     -3.431621000      2.501263000
6        0.649237000     -4.011488000      0.562524000
6        0.490179000     -3.950246000      1.952571000
1       -2.604784000     -2.536966000      2.083706000
1       -0.249443000     -3.582470000     -1.352597000
1       -0.815386000     -3.396491000      3.578377000
1        1.555585000     -4.427571000      0.134412000
1        1.278130000     -4.317841000      2.603537000
1       -6.475628000     -4.919244000     -0.176377000

-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



