%nproc=24
%mem=120GB
#p opt=(Cartes,TS,NoEigenTest,CalcFC) freq=NoRaman B3LYP gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRF=(SMD,solvent=n-Hexane)

Ag Carbene - Alcane -- PROJECT

0 1
 7             -1.426302    2.181894   -0.658709
 7             -2.691956    1.990457   -0.258671
 7             -1.940688   -0.795020   -0.627950
 7             -2.925018   -0.475582    0.229241
 7             -0.798649    0.375880    1.906208
 7             -1.963521    1.042124    1.994221
 5             -3.013502    0.951501    0.850387
 6             -1.462560    3.015385   -1.697996
 6             -2.791904    3.380529   -1.991580
 6             -3.550520    2.701996   -1.039727
 6             -2.090532   -2.079393   -0.948481
 6             -3.196309   -2.626612   -0.270497
 6             -3.703120   -1.562754    0.474557
 6             -0.156622    0.562880    3.056617
 6             -0.914384    1.376167    3.923679
 6             -2.067166    1.665754    3.200269
 1             -4.096182    1.139819    1.278385
 6             -1.054680   -2.717191   -1.827380
 9             -0.563441   -1.825867   -2.715739
 9             -1.541368   -3.762827   -2.512619
 6             -0.176342    3.291682   -2.413452
 9              0.845078    3.427369   -1.544079
 9             -0.222278    4.400527   -3.169805
 6              1.163044   -0.098298    3.307957
 9              1.680110   -0.624696    2.175413
 9              1.054423   -1.097463    4.206388
 9              2.071314    0.777894    3.795990
 9             -0.006676   -3.156709   -1.088964
 9              0.148497    2.256223   -3.236829
 6             -3.284957    2.466612    3.557378
 6             -4.872460   -1.479800    1.415137
 6             -5.033493    2.658687   -0.802014
35             -3.382549    4.533868   -3.370839
35             -0.433388    1.898757    5.676606
35             -3.820209   -4.409072   -0.370671
 9             -3.097228    3.167333    4.686699
 9             -3.588292    3.344043    2.574200
 9             -4.361756    1.674456    3.736757
 9             -5.350276    3.128299    0.421330
 9             -5.699695    3.391519   -1.707270
 9             -5.495112    1.390381   -0.881476
 9             -4.488038   -0.987433    2.614828
 9             -5.418848   -2.686561    1.626614
 9             -5.836401   -0.668371    0.936295
 6              2.698205    0.660583   -2.270983
 8              2.686749   -0.337577   -2.988413
 8              3.002420    1.893675   -2.592244
 6              3.228539    2.165724   -4.017532
 1              2.417951    1.698865   -4.582470
 1              4.174638    1.697678   -4.303925
 6              3.252192    3.669108   -4.182746
 1              3.450731    3.911442   -5.231483
 1              4.038410    4.118803   -3.569333
 1              2.292112    4.108721   -3.903256
 6              2.204920    0.271945   -0.966157
 1              2.964971   -0.230291   -0.360450
 1              2.553789    1.968456   -0.028128
 6              2.820282    2.413512    0.952614
 1              3.031700    1.600794    1.650235
 6              1.674360    3.299941    1.441095
 1              0.755512    2.706029    1.511591
 1              1.475203    4.077571    0.697339
 6              1.979723    3.945875    2.797383
 1              2.140315    3.187750    3.569102
 1              1.151264    4.584416    3.123985
 1              2.880904    4.568983    2.745270
 1              3.742240    2.980119    0.784398
47              0.167812    0.284025   -0.483855

-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









