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

Title Card Required

0 1
29      -0.666040059     -0.094631941     -1.095096000
7        1.354441000     -1.017409000     -1.239820000
7        2.162230000     -0.755251000     -0.174872000
7        0.515601941      1.710946000     -1.037106000
7        1.544111941      1.700131000     -0.132343000
7       -0.621831000      0.222496941      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        2.166742941      2.906151000     -0.143922000
6       -1.469855000      0.206350941      2.169362000
6       -0.782643000      0.138050941      3.398565000
6        0.559956000      0.134351000      3.030313000
1        2.804564000      0.670551000      1.423375000
7       -2.197857882     -1.354387882     -1.479204237
16      -3.397529118     -0.917814941     -2.556755763
8       -4.226755355     -2.117502118     -2.856732995
8       -2.761684710     -0.178492237     -3.655467296
6       -4.437518941      0.211388237     -1.643389763
6       -5.594081882     -0.266791645     -1.024544527
6       -4.041443882      1.544386237     -1.505295000
6       -6.358666763      0.608686473     -0.253257586
1       -5.896321882     -1.298138645     -1.155187290
6       -4.822323763      2.405055355     -0.742880059
1       -3.137145941      1.895281177     -1.990286177
6       -5.987709704      1.953997532     -0.098798823
1       -7.264260704      0.245855591      0.224776591
1       -4.524944763      3.446704414     -0.636080237
6       -6.807045586      2.891024651      0.750554118
1       -6.942377527      3.860390651      0.256555059
1       -7.795873645      2.474711769      0.967388118
1       -6.306814586      3.083284651      1.708738118
6       -4.511672704     -4.229195183     -0.665966532
6       -5.701198290     -4.155915296     -0.008224823
1       -5.941730817     -3.295549468      0.613552349
6       -3.638947290     -3.145017301     -0.609656307
6       -2.523678704     -2.429457473     -0.707932769
35      -3.330292000      0.294711941      1.868485000
35      -0.744212000      3.368320000     -2.932805059
35       1.205613000     -2.547081941     -3.589176000
35       4.434317000     -3.593414000     -2.009661941
35       4.644680000     -1.521866000      1.050320059
35       2.066425000      0.042406059      4.158685000
35      -1.510143000      0.055972000      5.135740000
35       1.965883000      5.505236000     -1.532291059
35       3.641035000      3.346065000      0.949790000
1       -4.280019237     -5.090443011     -1.297743763
6       -1.516337000     -2.987525296      0.261728645
6       -1.712463414     -2.956054118      1.648977586
6       -0.343267704     -3.544485118     -0.271127882
6       -0.709299591     -3.421720763      2.501263000
6        0.656662177     -4.001587763      0.582324473
6        0.477803704     -3.932920586      1.969896414
1       -2.632009651     -2.549341296      2.051530231
1       -0.222217349     -3.597320355     -1.345171823
1       -0.854986946     -3.381640645      3.575901941
1        1.570435355     -4.415195704      0.169062828
1        1.258329527     -4.290615349      2.635712769
1       -6.450877409     -4.939045473     -0.107075344

-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



