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

Ag Carbene - Alcane -- PROJECT

0 1
 7             -1.580289    2.167310   -0.616896
 7             -2.856644    1.909598   -0.225197
 7             -1.771043   -0.896067   -0.344099
 7             -2.925638   -0.571938    0.299827
 7             -0.866976    0.822370    1.991342
 7             -2.198234    1.088183    2.082551
 5             -3.145375    0.853764    0.874387
 6             -1.648474    3.072448   -1.581054
 6             -2.981974    3.437192   -1.850408
 6             -3.718362    2.661315   -0.956899
 6             -1.873872   -2.164628   -0.716791
 6             -3.111907   -2.709526   -0.325509
 6             -3.747570   -1.651905    0.321932
 6             -0.325572    1.152538    3.154328
 6             -1.293855    1.646846    4.048784
 6             -2.476634    1.587548    3.313988
 1             -4.268215    0.958757    1.233625
35             -3.621069    4.681734   -3.111808
35             -1.052737    2.241409    5.819652
35             -3.760437   -4.454373   -0.613082
 6              2.430501    0.734364   -2.337304
 8              2.072730   -0.060562   -3.192049
 8              2.941112    1.943118   -2.551795
 6              3.033755    2.355516   -3.950229
 1              2.037709    2.282611   -4.395593
 1              3.695078    1.658859   -4.474007
 6              3.568353    3.770991   -3.960928
 1              3.656008    4.120281   -4.994220
 1              4.556266    3.821437   -3.493762
 1              2.898819    4.450975   -3.424875
 6              2.167371    0.313743   -0.951892
 1              2.768795   -0.555608   -0.677386
 1              2.758567    1.330612   -0.049375
 6              3.841811    1.572285    0.286803
 1              4.099500    0.864544    1.072866
 1              4.538765    1.554440   -0.545781
47              0.181921    0.466960   -0.166934
 1              3.691554    2.585558    0.667321
35             -0.057611    3.685184   -2.394837
35             -5.590454    2.605363   -0.751275
35              1.533152    0.940065    3.424600
35             -4.200156    2.103146    3.873408
35             -5.455034   -1.655490    1.118311
35             -0.453097   -2.992973   -1.640662

-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 0
6-31G(d,p)
****

Ag Br 0
LANL2DZ









