%nproc=36
%mem=120GB
#p opt=(CalcFC) 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       -2.079039000      2.226864421     -1.444063000
7       -3.247271000      1.997660000     -0.787147000
7       -1.686493421     -0.647613000     -0.488183000
7       -2.922920421     -0.391313000      0.016963000
7       -0.992943000      1.700426000      1.283650000
7       -2.319808421      1.546829000      1.537808000
5       -3.304172421      1.046446000      0.441959000
6       -2.340668000      3.054448421     -2.449462000
6       -3.707230000      3.389042000     -2.477522000
6       -4.243305000      2.688692000     -1.397186000
6       -1.637011000     -1.945384000     -0.739680000
6       -2.849588000     -2.582611000     -0.405102000
6       -3.640838421     -1.543612000      0.075961000
6       -0.415000000      2.101935579      2.411045000
6       -1.362457000      2.216882000      3.444372000
6       -2.563705000      1.852762000      2.837826000
1       -4.402181421      1.051969000      0.878823000
35      -4.602094000      4.517991000     -3.688198000
35      -1.075324000      2.744171000      5.227933000
35      -3.294632000     -4.405332000     -0.567162000
6        1.711230737      1.029335158     -1.673722263
1        2.098276053      0.092523579     -2.088537789
1        2.444931947     -0.306624053      0.449427895
6        3.528481263     -0.257730579      0.615106316
1        3.727721316     -0.550761737      1.652885526
1        4.038231105     -0.947343684     -0.062944737
47      -0.079255421      1.312795000     -0.790860421
1        3.895962842      0.760429737      0.449276737
35      -0.955654000      3.626423000     -3.592689000
35      -6.037940000      2.660868000     -0.831668000
35       1.438648000      2.432831579      2.466051000
35      -4.264552421      1.775480000      3.635792000
35      -5.410935421     -1.645874000      0.712303000
35      -0.061642000     -2.711235000     -1.453184579
6        2.673498000      2.130586316     -2.023592000
9        2.452651263      3.273440895     -1.359755737
9        3.963440579      1.792003632     -1.835650421
9        2.466696421      2.357925421     -3.344996000

-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









