%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
9        7.260040000     -1.478318000      5.269981000
9        6.037880000     -2.234377000      6.950495000
9        0.310792000     -1.983774000     10.250003000
9        2.427783000     -2.145292000     10.851406000
9        6.921526000      0.893930202     14.032937000
9        6.897362000     -0.570601798     12.386183202
7        5.596123202      0.265774000      7.791389202
7        5.389504000      1.595815000      7.897456202
7        3.038050000      0.058018000      9.434355000
7        3.047139000      1.248463000      8.795743000
7        5.419196000      1.136250000     10.863522000
7        4.829310000      2.213549000     10.294581000
6        6.558559000      0.055528000      6.908468202
6        7.049827000      1.289074000      6.401250000
6        6.261414000      2.261823000      7.074476000
6        7.004184000     -1.336624000      6.598877000
6        1.857696000     -0.511405000      9.254268000
6        1.029040000      0.306436000      8.439684000
6        1.843244000      1.440386000      8.168563000
6        1.592136000     -1.875054000      9.805097000
6        5.597700000      1.382197000     12.152705000
6        5.095851000      2.669058000     12.487489000
6        4.610696000      3.172291000     11.249752000
6        6.143342000      0.330631000     13.068043000
5        4.298968000      2.168668000      8.836716000
1        4.004008000      3.257389000      8.485667000
6        8.041973000      1.683658000      5.488631000
6        8.230783000      3.029301000      5.260543000
6        7.447091000      3.994874000      5.937064000
6        6.467604000      3.633488000      6.840520000
6        4.028684000      4.452316000     11.180849000
6        4.985717000      3.434653000     13.660965000
6        4.413023000      4.685151000     13.581989000
6        3.939945000      5.186400000     12.346702000
6       -0.268537000      0.216093000      7.910417000
6        1.355587000      2.490545000      7.369286000
6        0.074580000      2.379884000      6.865630000
6       -0.737138000      1.251471000      7.131424000
9       -1.037443000     -0.855927000      8.142811000
9       -1.965951000      1.211593000      6.599448000
9       -0.427414000      3.351040000      6.094546000
9        2.092997000      3.569551000      7.071496000
9        5.412096000      2.967474000     14.840736000
9        4.282354000      5.452081000     14.672510000
9        3.387539000      6.404623000     12.329164000
9        3.551547000      4.970194000     10.040445000
9        8.799627000      0.778177000      4.855979000
9        9.166245000      3.457412000      4.402688000
9        7.684941000      5.287473000      5.688007000
9        5.766017000      4.582241000      7.476579000
6        8.292486000     -1.760666000      7.343844000
9        9.321290000     -0.999910000      6.952899000
9        8.133037000     -1.617585202      8.675255000
9        8.581257202     -3.048259000      7.097108000
6        1.799858000     -2.996725000      8.760397000
9        0.949002798     -2.824053000      7.736766000
9        3.059111000     -2.951704000      8.283332000
9        1.592077000     -4.205196000      9.297539000
6        5.025403000     -0.456817000     13.798435000
9        4.272891000      0.396057000     14.514294000
9        4.224533000     -1.069538000     12.900339000
9        5.535477000     -1.376572000     14.617981000
1        6.548029019     -4.648764817      7.936854192
1        4.834398250     -5.059207096      7.595356317
6        5.567177202     -4.838700837      8.380108356
1        5.613075606     -5.663001625      9.093681971
1        5.199087346     -3.923098250      8.878940125
6        5.940437202     -2.972946779     10.413863625
1        6.927955385     -3.362236010     10.156363394
6        5.327003192     -3.677451596     11.518473202
8        5.941173404     -3.392471394     12.543929596
8        4.204791798     -4.345684798     11.400705404
6        3.529751798     -4.701774404     12.655830404
1        4.124849798     -5.473895808     13.155260000
1        3.512243000     -3.810008606     13.289177808
6        2.142834798     -5.182657000     12.295788202
1        1.622937798     -5.489974202     13.209418202
1        2.187657596     -6.040241798     11.619248000
1        1.570699000     -4.388004798     11.815796404
47       5.228395202     -1.076029798      9.849665000

-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









