%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       5.257779000     -1.112661067      9.876156067
9        6.672982000     -1.506146000      5.069036000
9        5.705889000     -2.227302000      6.919531000
9        0.342617000     -1.860963000      9.995108000
9        2.430788000     -2.126387000     10.665273000
9        6.369338000      0.851992000     14.463353000
9        6.465320000     -0.623365000     12.824337000
6        5.994638533     -3.089281135     10.616065269
7        5.672995000      0.262434000      7.895198000
7        5.585577000      1.604215000      8.041680000
7        3.143266000      0.182567000      9.469210000
7        3.214301000      1.409200000      8.904100000
7        5.427226000      1.203831000     11.087699000
7        4.992459000      2.311013000     10.443464000
6        6.449428000     -0.002027000      6.856352000
6        6.937190000      1.201240000      6.280073000
6        6.349309000      2.216668000      7.081869000
6        6.684915000     -1.415414000      6.428110000
6        1.956709000     -0.337938000      9.205780000
6        1.184980000      0.554993000      8.413358000
6        2.041215000      1.678033000      8.245287000
6        1.644465000     -1.740722000      9.620014000
6        5.425255000      1.452364000     12.388520000
6        4.958016000      2.770168000     12.651679000
6        4.693258000      3.292553000     11.357848000
6        5.707751000      0.372823000     13.378378000
8        4.111577266     -4.620605933     10.357108133
6        5.162998200     -4.150258067      9.965329867
5        4.520469000      2.251120000      8.969320000
1        4.297464000      3.344653000      8.585013000
8        5.734844067     -4.437661133      8.780438800
6        5.005234933     -5.352411067      7.920238867
1        4.015138933     -4.934799000      7.721235867
1        4.871533933     -6.296454000      8.454647867
6        5.826775000     -5.519624067      6.660092933
1        5.327066000     -6.226255000      5.989741867
1        5.936823000     -4.563905000      6.140737933
1        6.821950933     -5.905014067      6.893171000
1        5.342518601     -2.906514528     11.833978196
6        5.264388334     -3.583204867     12.735339398
1        5.540361800     -4.609390534     12.528904067
1        5.933908534     -3.091181666     13.439997864
1        4.202483401     -3.482473999     12.971125929
6        7.781104000      1.537980000      5.208804000
6        8.023843000      2.870268000      4.954224000
6        7.441110000      3.878531000      5.758751000
6        6.611157000      3.573724000      6.819296000
6        4.207738000      4.605753000     11.209232000
6        4.719996000      3.544930000     13.798623000
6        4.240804000      4.827174000     13.642047000
6        3.989677000      5.349582000     12.352450000
6       -0.092318000      0.535763000      7.830098000
6        1.611147000      2.791351000      7.499340000
6        0.348537000      2.749577000      6.941285000
6       -0.502402000      1.631178000      7.101813000
9       -0.899885000     -0.524180000      7.963645000
9       -1.710526000      1.661094000      6.522976000
9       -0.097259000      3.784044000      6.218724000
9        2.381129000      3.871443000      7.302814000
9        4.937291000      3.055780000     15.026970000
9        3.996994000      5.605374000     14.704831000
9        3.524328000      6.600386000     12.256748000
9        3.945381000      5.153329000     10.014910000
9        8.350551000      0.592416000      4.450612000
9        8.825766000      3.243539000      3.948043000
9        7.726158000      5.154733000      5.476473000
9        6.105946000      4.560970000      7.572482000
6        8.034445000     -1.993801000      6.905078000
9        8.098616000     -1.944007000      8.245626000
9        8.180438000     -3.264662000      6.511806000
9        9.043960000     -1.265178000      6.401876000
6        1.881541000     -2.754578000      8.474309000
9        3.170898000     -2.694353000      8.074795000
9        1.609376000     -4.002374000      8.857541000
9        1.103698000     -2.440440000      7.425131000
6        4.417033000     -0.309065000     13.893603000
9        3.608419000      0.592002000     14.462695000
9        3.768266000     -0.884972000     12.860438000
9        4.707726000     -1.262729000     14.791466000
6        7.424273933     -3.350911000     10.859989800
6        8.295871000     -2.273680000     11.116010000
6        7.968547933     -4.651267067     10.799375000
6        9.659672933     -2.481480933     11.285498000
6        9.335591933     -4.860433067     10.956865067
6       10.184769933     -3.775399000     11.201416000
1        7.892815933     -1.268085000     11.159216933
1        7.316666933     -5.497809067     10.602251867
1       10.318146000     -1.638707000     11.473178067
1        9.741899000     -5.866191067     10.889186067
1       11.251566933     -3.938544000     11.324361000

-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









