%nproc=32
%mem=120GB
#p opt freq B3LYP gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRF=(SMD,solvent=n-Hexane) SCRFDef=AsymmetricIEFPCM

Ag Carbene - Alcane -- PROJECT

0 1
47       4.335804046     -0.636582448     10.587674757
35       7.502464046      0.541659552      5.287911757
35      -1.298784954      0.948324552      8.778070757
35       5.742462046      4.610500552     13.992776757
9        5.659009046     -2.184117448      6.155656757
9        5.210075046     -2.430205448      8.271163757
9        7.257010046     -2.065551448      7.623846757
9        6.958917046      3.508959552      5.993221757
9        6.263902046      4.120465552      7.961662757
9        4.844914046      3.890824552      6.326678757
9       -0.439681954     -0.960584448     11.145325757
9        1.517820046     -0.922568448     12.100366757
9        1.239664046     -2.017561448     10.244444757
9        0.121211046      3.110052552      7.129779757
9        2.252155046      2.958740552      6.723637757
9        1.524401046      4.343797552      8.236940757
9        5.613788046      1.030943552     14.402419757
9        7.548840046      1.799032552     13.779031757
9        6.692891046      0.065787552     12.777857757
9        4.148462046      6.072668552     11.787386757
9        2.765126046      4.925768552     10.561558757
9        4.665430046      5.589755552      9.732299757
7        4.938438046      0.242619552      8.440581757
7        4.942091046      1.580182552      8.285088757
7        2.529156046      0.734979552     10.174628757
7        2.655082046      1.777357552      9.336110757
7        5.301035046      1.697816552     11.169629757
7        4.686977046      2.715249552     10.539572757
6        5.745204046     -0.265409448      7.509557757
6        6.305007046      0.764668552      6.731191757
6        5.766646046      1.932401552      7.263383757
6        5.967739046     -1.744252448      7.388387757
6        5.960291046      3.372881552      6.878193757
6        1.259577046      0.328014552     10.127402757
6        0.531598046      1.117785552      9.218613757
6        1.465188046      2.033673552      8.732586757
6        0.876416046     -0.894746448     10.910131757
6        1.333836046      3.123502552      7.702133757
6        5.716518046      2.164382552     12.343844757
6        5.366598046      3.521918552     12.493668757
6        4.706382046      3.838517552     11.311860757
6        6.398641046      1.266674552     13.329214757
6        4.072894046      5.118290552     10.847781757
5        4.030083046      2.495392552      9.153765757
1        3.863421046      3.528440552      8.612945757
8        4.507058043     -2.631734490     11.498740286
6        5.731223824     -3.373404639     11.637209440
1        6.347441171     -2.906525004     12.420070802
1        6.277843690     -3.321317432     10.689462530
6        5.325464621     -4.799453109     12.029851265
1        5.104889497     -5.394616820     11.135892298
1        6.100981503     -5.317071366     12.602264462
6        4.038870719     -4.544114109     12.830819787
1        4.283158699     -4.225250753     13.850958988
1        3.382748601     -5.417370464     12.893580052
6        3.411369098     -3.386890233     12.043740075
1        2.802862529     -2.718597219     12.662474444
1        2.787225401     -3.760891514     11.218425407

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

Ag Br 0
LANL2DZ





