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

Title Card Required

0 1
29      -0.330539000      1.167224000     -0.165270000
7        0.912383000      0.308372000      1.963795000
7        1.416351000     -0.860034000      1.472884000
7       -0.126631000     -0.667568000     -1.193964000
7        0.983467000     -1.420133000     -0.973818000
7        1.634727000      1.485780000     -0.704371000
7        2.513264000      0.489420000     -0.369772000
5        2.035268000     -0.933292000      0.060777000
6        0.489383000      0.039071000      3.194523000
6        0.694380000     -1.313865000      3.529760000
6        1.284607000     -1.847502000      2.390561000
6       -0.811473000     -1.242476000     -2.177731000
6       -0.160124000     -2.414424000     -2.610259000
6        0.985451000     -2.478492000     -1.819803000
6        2.357248000      2.506460000     -1.166919000
6        3.729633000      2.207645000     -1.121679000
6        3.776593000      0.914054000     -0.607592000
1        2.956100000     -1.679506000      0.049200000
7       -2.187729000      1.156790000      0.322879000
16      -2.702243000     -0.118472000      1.318377000
8       -3.211212000      0.423541000      2.592729000
8       -1.672074000     -1.169019000      1.335450000
6       -4.099203000     -0.754161000      0.395948000
6       -5.241895000      0.036745000      0.241831000
6       -4.027355000     -2.036910000     -0.144209000
6       -6.319784000     -0.472437000     -0.474261000
1       -5.287554000      1.034381000      0.665205000
6       -5.123739000     -2.535249000     -0.848996000
1       -3.129611000     -2.630878000     -0.015411000
6       -6.279866000     -1.764396000     -1.029410000
1       -7.209453000      0.138204000     -0.603744000
1       -5.075644000     -3.536656000     -1.268012000
6       -7.471210000     -2.308001000     -1.776733000
1       -8.271503000     -2.584666000     -1.078910000
1       -7.885683000     -1.559712000     -2.460513000
1       -7.211408000     -3.198862000     -2.355313000
6       -1.071827000      3.058412000      0.372135000
6       -2.420260000      2.525347000      0.828017000
1       -2.486896000      2.559449000      1.917976000
6       -0.141443000      3.603803000      1.265573000
6        0.677408000      4.075379000      2.030574000
35       1.571614000      4.079728000     -1.843189000
35      -2.381080000     -0.475711000     -2.880263000
35      -0.258565000      1.376089000      4.299508000
35       0.262299000     -2.206166000      5.132089000
35       1.823585000     -3.624563000      2.076299000
35       5.313097000     -0.117331000     -0.269834000
35       5.170310000      3.296237000     -1.651935000
35      -0.705331000     -3.611283000     -3.958307000
35       2.357623000     -3.763763000     -1.892749000
1       -1.037177000      3.403583000     -0.662545000
6       -3.615360000      3.197327000      0.203133000
6       -3.826686000      3.104532000     -1.181682000
6       -4.538634000      3.891463000      0.994371000
6       -4.943382000      3.700719000     -1.764864000
6       -5.659229000      4.487674000      0.410671000
6       -5.862920000      4.392713000     -0.968372000
1       -3.123484000      2.541823000     -1.788699000
1       -4.382906000      3.953941000      2.068233000
1       -5.102507000      3.621867000     -2.836616000
1       -6.374027000      5.019479000      1.032089000
1       -6.736077000      4.853245000     -1.421837000
1        1.392263000      4.488371000      2.710714000

-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



