%nproc=28
%mem=120GB
#p opt=(CalcFC) 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       5.094505000     -1.170295000     10.078125715
35       8.197070000      0.900799000      5.021157000
35      -0.677655000     -0.085510000      7.881037000
35       5.382115000      3.611136000     14.091840000
9        6.255902000     -1.997755000      5.274103000
9        5.837059000     -2.604658000      7.322993000
9        7.871685000     -2.101819000      6.722000000
9        7.475616000      3.693582000      6.203983000
9        6.553278000      3.934475000      8.160176000
9        5.317644000      3.908599000      6.368543000
9        0.294500000     -1.547211000     10.913934000
9        2.359208000     -2.238121000     10.915502000
9        1.048785000     -2.711489000      9.241605000
9        0.635085000      2.363430000      6.513617000
9        2.798508000      2.524739000      6.354640000
9        1.729562000      3.656653000      7.875584000
9        5.589991000     -0.555668000     13.362428000
9        7.013389000      0.905938000     14.125424000
9        7.482227000     -0.255091000     12.344035000
9        3.857768000      5.188673000     11.937622000
9        2.754921000      4.092700000     10.417415000
9        4.637698000      5.062843000      9.912920000
6        5.989751281     -3.105539851     10.625240414
7        5.426616000     -0.025830000      7.867697000
7        5.388342000      1.316943000      7.946905000
7        2.984876000      0.058680000      9.671194000
7        3.065179000      1.165278000      8.909620000
7        5.605532000      1.112994000     10.862975000
7        4.926325000      2.132747000     10.319261000
6        6.324676000     -0.336687000      6.936418000
6        6.895995000      0.830260000      6.391295000
6        6.270310000      1.870624000      7.070774000
6        6.573913000     -1.767893000      6.566439000
6        6.406776000      3.359634000      6.944439000
6        1.793679000     -0.487741000      9.438435000
6        1.071522000      0.276098000      8.500579000
6        1.926942000      1.325363000      8.180596000
6        1.373129000     -1.746275000     10.133419000
6        1.766161000      2.475314000      7.227495000
6        5.850655000      1.433841000     12.133053000
6        5.313403000      2.701732000     12.434118000
6        4.730231000      3.116985000     11.238468000
6        6.492072000      0.396121285     13.002505000
6        3.993971000      4.376319000     10.878458000
8        4.334932574     -4.596684285     11.626460285
6        4.884105715     -4.109340715     10.657786141
5        4.362118000      2.025050000      8.874253000
1        4.119434000      3.101954000      8.458481000
8        4.501896285     -4.296627145      9.378829855
6        3.275323570     -5.040609715      9.157122285
1        2.515135285     -4.682486285      9.853763285
1        3.468255855     -6.097651715      9.370028000
6        2.885705285     -4.800654000      7.713968285
1        1.973531570     -5.363451000      7.478994570
1        2.686771285     -3.739867000      7.541507285
1        3.679058285     -5.125757715      7.035902000
1        6.169644582     -2.824461028     11.987459884
6        6.639927574     -3.409089141     12.832526157
1        6.762161715     -4.460310711     12.591199289
1        7.587218863     -2.888528004     12.972785731
1        5.917466297     -3.253921578     13.635395739
6        7.285541570     -3.422715715     10.011603570
6        8.289449285     -2.429443000      9.960222285
6        7.538636000     -4.669594145      9.402133000
6        9.498045285     -2.673789000      9.322570715
6        8.736738000     -4.893555715      8.729229000
6        9.720441285     -3.903005000      8.694664715
1        8.102183855     -1.466969000     10.426478285
1        6.779626000     -5.441565430      9.424907000
1       10.260548000     -1.898943000      9.293297430
1        8.906537715     -5.848358715      8.237259285
1       10.655629285     -4.084357285      8.174151715

-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









