%nproc=20
%mem=40GB
#p opt freq=NoRaman SCRFDef=AsymmetricIEFPCM B3LYP gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRF=(SMD,solvent=n-Hexane)

Ag Carbene - Alcane -- PROJECT

0 1
47       5.289354000     -1.170179000     10.024692000
35       7.886639000      1.402299000      4.833950000
35      -0.756272000     -0.370638000      8.286071000
35       5.886383000      3.827347000     13.909119000
6        5.905324000     -3.173310000     10.322966000
7        5.646640000      0.134232000      8.008878000
7        5.249850000      1.433457000      7.939258000
7        3.072444000     -0.132953000      9.698602000
7        2.992312000      1.044837000      9.023218000
7        5.539209000      1.075736000     10.906748000
7        4.865631000      2.121028000     10.352350000
6        6.535647000     -0.052651000      7.042944000
6        6.743634000      1.129760000      6.306576000
6        5.898818000      2.052330000      6.921117000
6        1.902307000     -0.739430000      9.558939000
6        1.017914000      0.030085000      8.777637000
6        1.764622000      1.162334000      8.457048000
6        5.947824000      1.470398000     12.104131000
6        5.552919000      2.795578000     12.369037000
6        4.860887000      3.166635000     11.217970000
8        4.294891000     -4.793303000     10.883278000
6        4.853544000     -4.155888000     10.004966000
5        4.213618000      1.997670000      8.949434000
1        3.858685000      3.067365000      8.586628000
8        4.562915000     -4.183011000      8.702206000
6        3.449885000     -5.018437000      8.270686000
1        2.674852000     -4.997039000      9.039300000
1        3.816187000     -6.046596000      8.177395000
35       1.625508000     -2.422087000     10.367653000
35       1.233437000      2.637838000      7.412156000
35       7.344438000     -1.743158000      6.812306000
35       5.654812000      3.865485000      6.471292000
35       4.031976000      4.820746000     10.862622000
35       6.914139000      0.284058000     13.212093000
6        7.197109000     -3.659713000     10.653317000
6        8.238690000     -2.725337000     10.921911000
6        7.509699000     -5.052003000     10.689800000
6        9.528478000     -3.156923000     11.187761000
6        8.796054000     -5.476478000     10.973514000
6        9.804151000     -4.530430000     11.215825000
1        7.999140000     -1.667354000     10.903832000
1        6.723072000     -5.777527000     10.511956000
1       10.318314000     -2.437943000     11.378622000
1        9.028346000     -6.536020000     11.005221000
6       11.235146962     -5.010844859     11.520869455
9       11.979190222     -4.028877468     12.073683130
9       11.234640138     -6.050473666     12.382632558
9       11.870239262     -5.416017615     10.400175069
6        2.881564139     -4.512699283      6.931715963
9        3.207403620     -3.220690245      6.712616517
9        3.355421872     -5.230461015      5.890687191
9        1.534344576     -4.599716246      6.901873101

-Ag 0
LANL2DZ
F 1 1.000
1.611 1.000
****
-Br 0
LANL2DZ
P 1 1.000
0.03760 1.000
D 1 1.000
0.43400 1.000
****
-C N H B O F 0
6-31G(d,p)
****

Ag Br 0
LANL2DZ









