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

Ag Carbene - Alcane -- PROJECT

0 1
47       4.405899000     -0.927863761     10.736395065
35       7.526984587      0.327449239      5.373021174
35      -1.253347587      0.591697587      8.920180348
35       5.759819761      4.274719174     14.143370826
9        5.612615153     -2.458683413      6.303441652
9        5.471710021     -2.693124761      8.471198130
9        7.403732652     -2.275198348      7.537166087
9        6.929895000      3.274817826      6.096056413
9        6.247966587      3.871187826      8.075170413
9        4.814792000      3.618332826      6.455509000
9       -0.361927000     -1.320307174     11.272645000
9        1.588741000     -1.247262587     12.239057000
9        1.342819000     -2.351931587     10.384510000
9        0.129802413      2.779655587      7.283060761
9        2.261930826      2.647537587      6.857164174
9        1.535751413      4.020861000      8.383712761
9        5.687148413      0.607418392     14.444636044
9        7.595755174      1.517609065     13.927147891
9        6.868765847     -0.207547522     12.805061044
9        4.123285522      5.738685174     11.968559652
9        2.760144761      4.577449348     10.726061413
9        4.644009348      5.292599413      9.901980239
7        5.018175413     -0.038072587      8.561759587
7        4.980457000      1.298947413      8.402294587
7        2.583865000      0.418358826     10.305300413
7        2.692953000      1.462183413      9.468218000
7        5.369653652      1.397323413     11.272430761
7        4.724881413      2.412756413     10.665028587
6        5.830068413     -0.521560174      7.624803587
6        6.353742413      0.520371826      6.836858587
6        5.785945000      1.674973826      7.371524587
6        6.080731413     -1.994525174      7.481789761
6        5.946686000      3.119452826      6.990266000
6        1.317978000     -0.005698587     10.261917000
6        0.579360413      0.778832000      9.355622174
6        1.499982413      1.706915000      8.872550587
6        0.953880000     -1.234309587     11.045044000
6        1.348616413      2.802982000      7.846851174
6        5.787248652      1.857962413     12.452954174
6        5.402843000      3.200087587     12.626942000
6        4.726589587      3.519420587     11.456878413
6        6.488193065      0.946051587     13.409813935
6        4.062400348      4.796135587     11.011839826
5        4.059635000      2.196025413      9.284713000
1        3.878678000      3.230894413      8.752109000
6        5.115965369     -2.516554935     11.779753413
1        5.814590500     -2.479470109     12.621541109
7        7.495707957     -1.991857217     10.507882153
7        8.060211587     -1.069036695     10.212849000
9        4.121128021     -4.121357348     10.326146587
6        4.874330304     -3.954173935     11.424543478
9        4.190183218     -4.471248848     12.490112717
9        6.022317000     -4.648131847     11.247717739

-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





