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

Title Card Required

0 1
29       0.542013000      0.558213000     -1.384574000
7        1.016147000     -1.652593000     -0.850060000
7        1.946376000     -1.691699000      0.147001000
7        2.186264000      1.212171000     -0.438630000
7        2.496644000      0.693764000      0.791718000
7       -0.219528000      0.771127000      1.481310000
7        0.395348000     -0.429520000      1.666824000
5        1.886268000     -0.646905000      1.290878000
6        1.304250000     -2.654619000     -1.674301000
6        2.437534000     -3.369193000     -1.236637000
6        2.813489000     -2.708910000     -0.069077000
6        2.935903000      2.305917000     -0.593565000
6        3.739553000      2.532435000      0.537233000
6        3.421610000      1.479395000      1.390568000
6       -1.495196000      0.583225000      1.795717000
6       -1.745945000     -0.747692000      2.193696000
6       -0.497543000     -1.355303000      2.095666000
1        2.513478000     -1.046550000      2.219204000
7       -1.276720000      0.377933000     -2.078458000
16      -2.079805000      1.490964000     -2.989823000
8       -3.466054000      0.922511000     -3.174757000
8       -1.290177000      1.839009000     -4.179506000
6       -2.258542000      2.956312000     -1.981389000
6       -3.528720000      3.396299000     -1.615943000
6       -1.106261000      3.620554000     -1.546614000
6       -3.641771000      4.525490000     -0.801401000
1       -4.409782000      2.865917000     -1.959236000
6       -1.238816000      4.735387000     -0.728102000
1       -0.123366000      3.262441000     -1.834435000
6       -2.506493000      5.205731000     -0.341855000
1       -4.629456000      4.879420000     -0.518462000
1       -0.347524000      5.250192000     -0.379088000
6       -2.625950000      6.401939000      0.567753000
1       -2.294945000      6.148825000      1.582612000
1       -1.994401000      7.227009000      0.221268000
1       -3.657362000      6.759635000      0.630375000
6       -4.751673000     -1.030763000     -1.509954000
6       -5.391567000     -0.555361000     -0.383085000
1       -4.833955000      0.151097000      0.228814000
6       -3.442787000     -0.661078000     -1.734329000
6       -2.141158000     -0.535064000     -1.524095000
35      -2.737154000      2.001638000      1.648148000
35       2.882857000      3.346457000     -2.168552000
35       0.238322000     -2.987076000     -3.198441000
35       3.249066000     -4.875577000     -2.027648000
35       4.264513000     -3.097148000      1.067299000
35      -0.027221000     -3.143886000      2.462220000
35      -3.377546000     -1.531623000      2.725292000
35       4.968898000      3.928707000      0.829583000
35       4.118645000      1.156205000      3.109014000
1       -5.253740000     -1.701252000     -2.204791000
1       -1.686765000     -1.259549000     -0.848229000
6       -6.706764000     -0.899329000      0.093549000
6       -7.545685000     -1.831050000     -0.562969000
6       -7.176327000     -0.263216000      1.266833000
6       -8.810349000     -2.105544000     -0.061018000
6       -8.444304000     -0.543002000      1.764216000
6       -9.261721000     -1.463978000      1.101004000
1       -7.202030000     -2.337725000     -1.458339000
1       -6.537861000      0.454463000      1.774736000
1       -9.449925000     -2.821192000     -0.568159000
1       -8.797174000     -0.047569000      2.663201000
1      -10.251792000     -1.685498000      1.488666000

-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



