%nproc=24
%mem=120GB
#p opt=(CalcFC) 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       5.089544000     -1.030073933      9.888851933
9        7.025836000     -1.450922000      5.290467000
9        5.800753000     -2.177677000      6.981508000
9        0.241899000     -2.052298000      9.679667000
9        2.293283000     -2.232421000     10.481187000
9        6.977658000      0.984745000     14.048010000
9        6.776242000     -0.537878000     12.461312000
6        5.770808933     -2.951545800     10.301955467
7        5.552883000      0.309132000      7.910307067
7        5.386617000      1.645281000      8.009763000
7        2.962834000      0.129585000      9.357248000
7        3.005131000      1.362663000      8.802277000
7        5.327272000      1.202655000     10.956224000
7        4.758919000      2.285768000     10.381056000
6        6.483252000      0.063424000      6.996785000
6        6.994270000      1.278736000      6.471235000
6        6.253352000      2.278382000      7.159363000
6        6.822503000     -1.346128000      6.632574000
6        1.834545000     -0.460130000      8.996866000
6        1.075782000      0.392824000      8.149952000
6        1.874661000      1.564774000      8.051890000
6        1.559370000     -1.877660000      9.390118000
6        5.576352000      1.482725000     12.226034000
6        5.145287000      2.799921000     12.540684000
6        4.624323000      3.284030000     11.310348000
6        6.114942000      0.439546000     13.150442000
8        4.190902266     -4.712923534     10.398371933
6        5.100942200     -4.166824800      9.806219467
5        4.273604000      2.251227000      8.912831000
1        4.027036000      3.346483000      8.546673000
1        6.764822268     -3.155255933     10.717802331
8        5.617330067     -4.494787200      8.623479601
6        4.909643000     -5.486913266      7.813180800
1        3.845027000     -5.439934266      8.054694933
1        5.291879067     -6.470667266      8.103654734
6        5.192378867     -5.164497200      6.362041800
1        4.778242800     -5.954325133      5.726097734
1        4.735756867     -4.212319133      6.079887867
1        6.269321867     -5.098445200      6.180955734
1        5.158070803     -3.072909399     12.324482196
6        5.676622000     -3.683667399     13.081829664
1        5.992020667     -4.638680000     12.660967399
1        6.537107865     -3.129030399     13.467910200
1        4.949420130     -3.860505465     13.884999795
6        7.974098000      1.637546000      5.530696000
6        8.194280000      2.975408000      5.286738000
6        7.455788000      3.968101000      5.975827000
6        6.491552000      3.642068000      6.908471000
6        4.090005000      4.583527000     11.225188000
6        5.121838000      3.605536000     13.691620000
6        4.597171000      4.875813000     13.597384000
6        4.085856000      5.356920000     12.368828000
6       -0.150238000      0.304977000      7.470252000
6        1.442241000      2.655655000      7.275136000
6        0.231701000      2.545180000      6.619754000
6       -0.564180000      1.379405000      6.713535000
9       -0.904766000     -0.798968000      7.540370000
9       -1.723537000      1.343862000      6.043491000
9       -0.214361000      3.555508000      5.864818000
9        2.163899000      3.777434000      7.140931000
9        5.585160000      3.155519000     14.864524000
9        4.549307000      5.681665000     14.666108000
9        3.581380000      6.595253000     12.336716000
9        3.577914000      5.080913000     10.091103000
9        8.691076000      0.705321000      4.890206000
9        9.119869000      3.371098000      4.403527000
9        7.724739000      5.250998000      5.710988000
9        5.836691000      4.614686000      7.557762000
6        8.094842000     -1.895958000      7.315371000
9        7.954445000     -1.856656067      8.658384000
9        8.319806000     -3.164294000      6.954259000
9        9.153840000     -1.148111000      6.981063067
6        1.907377000     -2.888851000      8.268547000
9        3.218040000     -2.793957000      7.951024000
9        1.659108000     -4.144273000      8.655332000
9        1.189984000     -2.620307000      7.168187000
6        4.996933000     -0.260952000     13.959260000
9        4.293575000      0.649474067     14.650677000
9        4.161114933     -0.898882933     13.116693000
9        5.507916933     -1.152904000     14.816052000

-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









