%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
47       5.611647000     -0.868037000     10.510710423
35       7.728401000      0.466110000      4.746903000
35      -0.304878000     -1.415283000      8.450685000
35       5.825293000      4.759880000     13.215298000
6        5.902636423     -2.896460692     10.697021499
7        5.739760577     -0.114250423      8.266849577
7        5.257171000      1.107286000      7.921130000
7        3.146689000     -0.070127000     10.188798000
7        3.064765000      0.771544000      9.121934000
7        5.610086423      1.401311423     10.902095577
7        4.848593000      2.252433000     10.154271000
6        6.587977000     -0.485963000      7.318839577
6        6.682448000      0.496107000      6.312373000
6        5.813675000      1.497460000      6.748055000
6        2.092452000     -0.870755000     10.122558000
6        1.292273000     -0.579772000      8.998667000
6        1.962666000      0.478895000      8.387643000
6        6.021338000      2.077273000     11.967268000
6        5.534182000      3.396763000     11.950311000
6        4.789416000      3.458441000     10.773668000
8        4.432195462     -4.770111538     11.027179423
6        4.817369577     -3.844046692     10.343489961
5        4.192289000      1.795761000      8.823892000
1        3.750405000      2.736223000      8.253751000
1        6.889997000     -3.360155577     10.584372616
8        4.329950115     -3.464994423      9.158146115
6        3.274159692     -4.273756577      8.558530269
1        2.430242692     -4.297408577      9.255243846
1        3.645595692     -5.294812577      8.429419846
6        2.922891692     -3.610160154      7.246101269
1        2.113031692     -4.162598154      6.759540269
1        2.587877692     -2.583080154      7.411037692
1        3.785281692     -3.593865731      6.573188269
1        6.031129423     -3.122133230     12.639608468
6        6.388785462     -3.937821039     13.298747157
1        6.640958462     -4.831459384     12.721853423
1        7.263320770     -3.567008580     13.840402350
1        5.570950232     -4.164450773     13.990409619
35       1.838544000     -2.201588000     11.438035000
35       1.506811000      1.385124000      6.800508000
35       7.493087000     -2.137461000      7.449027000
35       5.438444000      3.140911000      5.911409000
35       3.837760000      4.937516000     10.102484000
35       7.099007000      1.228120000     13.261125000

-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









