%nproc=28
%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       -1.587099000      2.158551790     -0.631964210
7       -2.861483000      1.904054000     -0.233198210
7       -1.772765000     -0.900313000     -0.339806790
7       -2.925255000     -0.575284000      0.304960000
7       -0.859686790      0.837924420      1.977882580
7       -2.191512790      1.096523210      2.075876790
5       -3.144819000      0.854860210      0.874411000
6       -1.660370000      3.062926000     -1.598722210
6       -2.995308000      3.426189000     -1.860467000
6       -3.727032000      2.653020000     -0.963249210
6       -1.874005790     -2.169603000     -0.712084000
6       -3.112901000     -2.714202000     -0.315469000
6       -3.746759000     -1.655496000      0.331981000
6       -0.314222790      1.175532210      3.138498790
6       -1.280355790      1.669067000      4.034327790
6       -2.466277790      1.600235000      3.305389790
1       -4.266508000      0.957422000      1.237139000
35      -3.641042000      4.666124000     -3.122993000
35      -1.035951000      2.273433790      5.800221790
35      -3.761762000     -4.459850000     -0.597282000
6        2.412434531      0.742354420     -2.354770049
8        2.043214691     -0.046741000     -3.211049420
8        2.939275580      1.940050370     -2.549045420
6        3.047519630      2.371401790     -3.945166630
1        2.055539840      2.301079790     -4.399464049
1        3.718837259      1.683572000     -4.466731000
6        3.577364420      3.787872790     -3.930333790
1        3.673253049      4.150768000     -4.957275580
1        4.559692000      3.835103790     -3.451551951
1        2.901145000      4.458375580     -3.390069000
6        2.111972382      0.275546271     -0.996349148
1        2.760121210     -0.563801370     -0.721044309
1        2.844927766      1.338790729     -0.011956432
6        3.884154568      1.585039198      0.344836247
1        4.154772877      0.862100938      1.112790358
1        4.579893148      1.567907247     -0.491532382
47       0.178605000      0.460903580     -0.170937580
1        3.781327926      2.594307568      0.753800186
35      -0.073942000      3.675156000     -2.419189000
35      -5.598070000      2.597299000     -0.745907000
35       1.544686000      0.971727000      3.402889000
35      -4.189248790      2.109986790      3.871919000
35      -5.451513000     -1.658073000      1.134068000
35      -0.458751000     -2.999089000     -1.639837000

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

Ag Br 0
LANL2DZ









