%nproc=28
%mem=120GB
#p opt=(TS,Cartes,CalcFC,NoEigenTest) SCRFDef=AsymmetricIEFPCM freq=NoRaman B3LYP gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRF=(SMD,solvent=n-Hexane)

Ag Carbene - Alcane -- PROJECT

0 1
47       5.256745000     -1.114201000      9.869071000
9        6.703319000     -1.487226000      5.057212000
9        5.713403000     -2.218124000      6.891810000
9        0.356822000     -1.904902000     10.008351000
9        2.450106000     -2.155568000     10.667329000
9        6.392024000      0.855732000     14.439779000
9        6.434503000     -0.633217000     12.810969000
6        5.983755000     -3.109523000     10.615353000
7        5.653212000      0.266316000      7.875493000
7        5.557748000      1.606419000      8.026426000
7        3.138524000      0.161889000      9.468315000
7        3.194766000      1.390988000      8.906912000
7        5.410006000      1.202461000     11.074826000
7        4.983497000      2.311408000     10.428156000
6        6.445022000      0.010844000      6.845723000
6        6.934971000      1.219253000      6.281984000
6        6.331709000      2.227745000      7.081165000
6        6.694558000     -1.399612000      6.416750000
6        1.954250000     -0.367737000      9.213185000
6        1.168728000      0.521014000      8.429594000
6        2.013969000      1.651902000      8.258401000
6        1.655756000     -1.773895000      9.626635000
6        5.432701000      1.461238000     12.373240000
6        4.993451000      2.789617000     12.632255000
6        4.718030000      3.306171000     11.338268000
6        5.705748000      0.382752000     13.367165000
8        4.148159000     -4.672063000     10.317007000
6        5.183293000     -4.167665000      9.923999000
5        4.493617000      2.244569000      8.960435000
1        4.256660000      3.335416000      8.576879000
8        5.755881000     -4.434109000      8.734899000
6        5.036973000     -5.353093000      7.868268000
1        4.039661000     -4.949178000      7.681883000
1        4.920865000     -6.306323000      8.394563000
6        5.847822000     -5.496518000      6.597504000
1        5.352267000     -6.206276000      5.927209000
1        5.940265000     -4.537052000      6.086157000
1        6.852467000     -5.870340000      6.816211000
1        5.354144000     -2.878374000     11.710744000
6        5.204323000     -3.568629000     12.710750000
1        5.473143000     -4.609487000     12.581334000
1        5.843802000     -3.029157000     13.406106000
1        4.135922000     -3.421635000     12.856823000
6        7.792037000      1.566338000      5.224536000
6        8.032737000      2.901229000      4.981807000
6        7.434959000      3.902359000      5.784423000
6        6.591513000      3.587567000      6.831230000
6        4.259120000      4.628350000     11.185029000
6        4.787916000      3.578599000     13.775796000
6        4.331539000      4.868691000     13.615194000
6        4.072443000      5.385696000     12.324936000
6       -0.112625000      0.492149000      7.855654000
6        1.568070000      2.763710000      7.519407000
6        0.301740000      2.712399000      6.970631000
6       -0.537888000      1.585979000      7.133730000
9       -0.909782000     -0.575390000      7.991476000
9       -1.750438000      1.606698000      6.563754000
9       -0.158627000      3.745303000      6.254928000
9        2.326082000      3.851884000      7.320744000
9        5.015060000      3.096057000     15.004952000
9        4.119170000      5.660477000     14.674786000
9        3.632919000      6.645547000     12.225256000
9        3.994857000      5.172165000      9.989416000
9        8.376116000      0.627880000      4.468478000
9        8.847271000      3.284086000      3.989327000
9        7.719238000      5.181389000      5.514064000
9        6.071589000      4.567368000      7.584392000
6        8.041049000     -1.971357000      6.910652000
9        8.090929000     -1.918575000      8.252211000
9        8.197353000     -3.242423000      6.522250000
9        9.053063000     -1.239346000      6.417568000
6        1.894130000     -2.784177000      8.477896000
9        3.180061000     -2.712894000      8.069329000
9        1.635578000     -4.034862000      8.861596000
9        1.106243000     -2.475576000      7.434647000
6        4.406314000     -0.265445000     13.903764000
9        3.625581000      0.660281000     14.473962000
9        3.732881000     -0.835463000     12.884801000
9        4.686212000     -1.215136000     14.809228000
6        7.416970000     -3.361807000     10.852398000
6        8.288515000     -2.289885000     11.127293000
6        7.952949000     -4.666423000     10.804067000
6        9.646495000     -2.510582000     11.336280000
6        9.311858000     -4.885907000     11.002192000
6       10.161286000     -3.807975000     11.271194000
1        7.891730000     -1.282396000     11.162620000
1        7.300494000     -5.508039000     10.594189000
1       10.304929000     -1.671611000     11.539738000
1        9.710641000     -5.894498000     10.950425000
1       11.222425000     -3.979806000     11.427177000

-Ag 0
LANL2DZ
F 1 1.000
1.611 1.000
****
-C N H B O F 0
6-31G(d,p)
****

Ag 0
LANL2DZ









