%nproc=12
%mem=20GB
#p opt freq=NoRaman B3LYP SCRFDef=AsymmetricIEFPCM gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRF=(SMD,solvent=n-Hexane)

Ag Carbene - Alcane -- PROJECT

0 1
47       5.382458000     -1.264651000      9.428235000
35       7.609682000      2.611565000      5.009226000
35      -0.702290000     -0.418021000      8.635358000
35       6.635808000      2.583958000     14.334459000
9        6.757164000     -0.546955000      4.701387000
9        6.012772000     -1.693902000      6.389379000
9        8.033647000     -0.866733000      6.432366000
9        6.444602000      4.860867000      6.799856000
9        5.922910000      4.450522000      8.873614000
9        4.363980000      4.577450000      7.358245000
9        0.621954000     -2.446293000     10.776843000
9        2.738780000     -2.443514000     11.285730000
9        2.088342000     -3.128589000      9.326996000
9        0.179377000      2.388838000      7.628640000
9        2.276887000      2.812094000      7.227074000
9        1.361127000      3.496769000      9.078129000
9        7.361954000     -0.721223000     13.358596000
9        8.833246000      0.666754000     12.575369000
9        7.994152000     -0.863848000     11.277621000
9        4.227804000      4.212830000     13.220138000
9        2.908994000      3.406734000     11.690215000
9        4.517729000      4.761005000     11.135704000
6        6.151229000     -3.122013000     10.116772000
7        5.391094000      0.520581000      7.720196000
7        5.117951000      1.771502000      8.124731000
7        3.167679000     -0.186867000      9.922087000
7        3.037406000      1.030593000      9.370870000
7        6.000043000      0.842517000     10.699031000
7        5.088389000      1.828982000     10.640944000
6        6.211930000      0.619317000      6.676782000
6        6.496993000      1.969127000      6.395060000
6        5.759153000      2.677371000      7.339499000
6        6.759095000     -0.619685000      6.042341000
6        5.621718000      4.152581000      7.589260000
6        1.998514000     -0.808445000      9.776382000
6        1.079808000      0.015577000      9.096181000
6        1.787880000      1.190065000      8.858120000
6        1.852977000     -2.207421000     10.291989000
6        1.392473000      2.477675000      8.195296000
6        6.606225000      0.948772000     11.878193000
6        6.079233000      2.030146000     12.613726000
6        5.106422000      2.571142000     11.781600000
6        7.698029000      0.000288000     12.275114000
6        4.189683000      3.746313000     11.961775000
8        5.680391000     -3.039206000     12.414260000
6        5.495150000     -3.600090000     11.346053000
5        4.223769000      2.034187000      9.368685000
1        3.814806000      3.140011000      9.330096000
8        4.650572000     -4.603608000     11.108376000
6        3.779537000     -5.026224000     12.200001000
1        3.470156000     -4.144356000     12.763977000
1        4.359275000     -5.677091000     12.862724000
6        7.418347000     -3.675126000      9.811121000
6        8.194815000     -4.328131000     10.811541000
6        7.959055000     -3.516485000      8.503292000
6        9.479889000     -4.754445000     10.520097000
6        9.222128000     -4.007186000      8.213039000
6        9.991661000     -4.599347000      9.223497000
1        7.798871000     -4.424064000     11.816747000
1        7.339704000     -3.118355000      7.704390000
1       10.088196000     -5.214581000     11.291661000
1        9.619304000     -3.915507000      7.207934000
6       11.415310770     -5.093684032      8.906555003
9       12.330992410     -4.119794627      9.097682838
9       11.763693811     -6.134973131      9.692564054
9       11.522797892     -5.502531204      7.624075526
6        2.543692195     -5.763809707     11.652045762
9        1.779462520     -4.950840321     10.891455814
9        2.896490759     -6.818694197     10.886398424
9        1.764504408     -6.232488507     12.650379210

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

Ag Br 0
LANL2DZ









