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

Title Card Required

0 1
29       0.621082000      0.970218000     -0.792089000
7        0.135474000     -1.283534000     -0.908086000
7        1.069943000     -2.010636000     -0.231831000
7        2.535555000      0.594268000     -0.335973000
7        2.810754000     -0.370799000      0.595978000
7        0.531585000      0.697812000      1.854184000
7        0.605233000     -0.662317000      1.820212000
5        1.727634000     -1.395662000      1.033082000
6       -0.269286000     -2.038724000     -1.923668000
6        0.399894000     -3.279540000     -1.936997000
6        1.250042000     -3.208521000     -0.835239000
6        3.669481000      1.258958000     -0.552607000
6        4.713069000      0.745597000      0.238198000
6        4.114741000     -0.289505000      0.952353000
6       -0.614515000      0.991616000      2.457380000
6       -1.328941000     -0.170837000      2.816390000
6       -0.501029000     -1.204781000      2.384425000
1        2.224430000     -2.256329000      1.684676000
7       -1.183734000      1.716003000     -1.047697000
16      -1.617170000      2.828919000     -2.147578000
8       -3.378372000      2.573406000     -1.780533000
8       -0.763508000      2.797562000     -3.357976000
6       -1.564578000      4.475743000     -1.478664000
6       -2.279433000      4.778189000     -0.313809000
6       -0.741659000      5.415568000     -2.104113000
6       -2.161287000      6.054954000      0.222937000
1       -2.912597000      4.039108000      0.161046000
6       -0.640145000      6.687081000     -1.542777000
1       -0.201792000      5.160800000     -3.008612000
6       -1.341187000      7.026812000     -0.376571000
1       -2.717720000      6.304147000      1.122238000
1       -0.007179000      7.427185000     -2.023473000
6       -1.205458000      8.394345000      0.239575000
1       -0.483244000      8.369634000      1.065960000
1       -0.851113000      9.129367000     -0.488217000
1       -2.158481000      8.740623000      0.652327000
6       -4.766596000      0.785605000     -0.945979000
6       -4.948456000     -0.434052000     -0.386695000
1       -4.071655000     -0.979705000     -0.041764000
6       -3.487503000      1.453532000     -1.007223000
6       -2.269363000      1.065507000     -0.510364000
35      -1.125490000      2.794578000      2.706378000
35       3.754629000      2.685389000     -1.784289000
35      -1.601556000     -1.424952000     -3.114962000
35       0.187339000     -4.710690000     -3.145023000
35       2.473025000     -4.502338000     -0.221647000
35      -0.790165000     -3.064295000      2.483524000
35      -3.016676000     -0.305661000      3.645152000
35       6.505495000      1.318370000      0.310466000
35       4.928421000     -1.422015000      2.216744000
1       -5.603258000      1.352610000     -1.344314000
1       -2.076059000      0.203545000      0.110668000
6       -6.220942000     -1.120538000     -0.174348000
6       -7.474677000     -0.528819000     -0.437338000
6       -6.198819000     -2.440207000      0.321887000
6       -8.653218000     -1.237478000     -0.222597000
6       -7.380870000     -3.147259000      0.538213000
6       -8.613821000     -2.549523000      0.265203000
1       -7.527059000      0.493184000     -0.800639000
1       -5.241235000     -2.910148000      0.534009000
1       -9.609043000     -0.763969000     -0.429675000
1       -7.339049000     -4.163556000      0.920078000
1       -9.536896000     -3.096342000      0.435274000

-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



