%nproc=36
%mem=120GB
#p opt=(TS,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              -2.086230    2.271647   -1.453098
 7              -3.244830    1.980797   -0.801801
 7              -1.662776   -0.610242   -0.608679
 7              -2.854823   -0.394287    0.010060
 7              -0.945622    1.693956    1.246334
 7              -2.274498    1.567039    1.511077
 5              -3.263298    1.036313    0.433797
 6              -2.385713    3.084237   -2.459991
 6              -3.767310    3.346569   -2.494972
 6              -4.271902    2.619716   -1.417141
 6              -1.574661   -1.911883   -0.829855
 6              -2.715954   -2.592198   -0.357828
 6              -3.506440   -1.575516    0.172697
 6              -0.358882    2.135553    2.353113
 6              -1.301018    2.306969    3.383916
 6              -2.508838    1.931559    2.797178
 1              -4.354034    1.018593    0.888517
35              -4.712879    4.428942   -3.709727
35              -1.001019    2.905130    5.142927
35              -3.088485   -4.436930   -0.428158
 6               1.773588    1.141293   -1.660297
 1               2.220801    0.233427   -2.077858
 1               2.214999   -0.289483    0.314607
 6               3.267579   -0.469254    0.555977
 1               3.345259   -0.636950    1.633153
 1               3.618448   -1.354373    0.019016
47              -0.067074    1.361834   -0.863252
 1               3.876371    0.393829    0.279092
35              -1.027236    3.724620   -3.598141
35              -6.065704    2.499410   -0.860803
35               1.497641    2.455096    2.384523
35              -4.210484    1.910841    3.600974
35              -5.195512   -1.738486    0.990814
35              -0.048318   -2.628096   -1.684700
 6               2.734531    2.279209   -1.870755
 9               2.417354    3.388707   -1.189429
 9               4.014969    1.976267   -1.581463
 9               2.638980    2.551358   -3.197902

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

Ag Br 0
LANL2DZ









