%nproc=36
%mem=120GB
#p opt=(TS,Cartes,CalcFC,NoEigenTest) freq=NoRaman SCRFDef=AsymmetricIEFPCM B3LYP gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRF=(SMD,solvent=n-Hexane)

Ag Carbene - Alcane -- PROJECT

0 1
47       5.212345000     -1.252063000     10.281070000
35       7.966533000      0.330364000      4.779113000
35      -0.668194000     -0.610908000      8.415611000
35       6.064728000      4.167756000     13.413711000
6        5.891736000     -3.235538000     10.999959000
7        5.625049000     -0.345110000      8.060707000
7        5.323111000      0.959654000      7.813588000
7        3.088006000     -0.105966000      9.947518000
7        3.083916000      0.865031000      8.993140000
7        5.744215000      1.084873000     10.747971000
7        5.038172000      2.044860000     10.090167000
6        6.504086000     -0.719508000      7.140769000
6        6.799042000      0.337868000      6.257500000
6        6.019629000      1.390351000      6.731781000
6        1.899792000     -0.694941000      9.900632000
6        1.085363000     -0.128563000      8.903337000
6        1.891663000      0.864818000      8.348732000
6        6.156454000      1.622869000     11.886019000
6        5.734012000      2.959919000     12.007090000
6        5.017578000      3.181020000     10.831606000
8        3.936284000     -4.559139000     11.563055000
6        4.761564000     -4.169274000     10.766300000
5        4.345221000      1.733689000      8.735514000
1        4.028547000      2.748785000      8.212042000
8        4.722373000     -4.437989000      9.426202000
6        3.457279000     -4.801846000      8.869566000
1        2.657353000     -4.691102000      9.602847000
1        3.492860000     -5.833545000      8.512258000
1        5.785237000     -2.928642000     12.310292000
6        5.956966000     -3.480570000     13.357783000
1        5.920332000     -4.560957000     13.267519000
1        6.930788000     -3.101314000     13.667335000
1        5.116278000     -3.078776000     13.925302000
35       1.536265000     -2.138421000     11.059341000
35       1.480442000      2.033002000      6.930042000
35       7.205066000     -2.470421000      7.150212000
35       5.906671000      3.140417000      6.043167000
35       4.140978000      4.761226000     10.300968000
35       7.160596000      0.584484000     13.107329000
6        7.266271000     -3.632533000     10.687211000
6        8.288816000     -2.660782000     10.729738000
6        7.591102000     -4.942215000     10.276126000
6        9.584867000     -2.975209000     10.346171000
6        8.881428000     -5.252105000      9.862774000
6        9.873990000     -4.267886000      9.896930000
1        8.046467000     -1.651482000     11.047404000
1        6.823175000     -5.707184000     10.245224000
1       10.364167000     -2.221836000     10.370621000
1        9.124369000     -6.253172000      9.523990000
6       11.248651000     -4.583048000      9.364521000
9       12.200595000     -3.825051000      9.947116000
9       11.577556000     -5.878137000      9.559577000
9       11.312215000     -4.352634000      8.032819000
6        3.195939000     -3.880783000      7.690722000
9        3.264880000     -2.582174000      8.052240000
9        4.081134000     -4.073820000      6.696255000
9        1.960293000     -4.117013000      7.205254000

-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









