%nproc=24
%mem=120GB
#p freq=NoRaman SCRFDef=AsymmetricIEFPCM B3LYP gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRF=(SMD,solvent=n-Hexane)

Ag Carbene - Alcane -- PROJECT

0 1
 7              -2.077919    2.132087   -1.047318
 7              -3.105593    1.559124   -0.353049
 7              -1.889790   -0.894959   -1.082252
 7              -2.341426   -0.802343    0.198087
 7              -0.427541    0.983782    1.358824
 7              -1.733532    1.109412    1.718538
 5              -2.841171    0.542341    0.791531
 6              -2.616223    3.007007   -1.892015
 6              -4.016360    3.028354   -1.772470
 6              -4.278925    2.086599   -0.778877
 6              -1.485961   -2.149079   -1.245763
 6              -1.660348   -2.909648   -0.069718
 6              -2.210414   -1.994899    0.827752
 6               0.280056    1.677457    2.242106
 6              -0.550655    2.272880    3.211548
 6              -1.833244    1.883082    2.826232
 1              -3.838450    0.377892    1.416637
35              -5.247127    4.085209   -2.725298
35              -0.052841    3.336953    4.683762
35              -1.241015   -4.721396    0.229367
 6               2.530107    0.609437   -2.740549
 8               2.318877    0.386702   -3.913718
 8               3.472048    1.455416   -2.247063
 6               3.948651    2.487052   -3.115468
 1               3.869980    2.199033   -4.165607
 1               4.985829    2.691151   -2.848821
 6               1.732057    0.055515   -1.646002
 1               4.596701    2.757139   -0.043854
 6               5.294569    2.031303    0.375676
 1               4.838961    1.038534    0.362736
 1               6.211494    2.012523   -0.220929
47              -0.047084    1.135895   -1.213844
 1               5.548138    2.310885    1.402125
35              -1.513523    4.005510   -3.047348
35              -5.961753    1.583639   -0.102851
35               2.156715    1.793648    2.050326
35              -3.475819    2.323739    3.633813
35              -2.682336   -2.252478    2.632755
35              -0.734805   -2.696052   -2.890470
 6               2.117835   -1.158560   -1.030618
 6               1.425975   -1.595046    0.136137
 6               3.159410   -1.979984   -1.558781
 6               1.757280   -2.796108    0.742483
 6               3.455423   -3.195858   -0.974146
 6               2.748844   -3.599052    0.171585
 1               0.652084   -0.962762    0.557075
 1               3.690946   -1.664894   -2.450812
 1               1.238653   -3.125279    1.634085
 1               4.226527   -3.837659   -1.385472
 6               3.106950    3.727990   -2.867450
 9               1.798733    3.468734   -3.093895
 9               3.215726    4.164581   -1.596816
 9               3.490789    4.721069   -3.689422
 6               3.035377   -4.966876    0.750479
 9               2.609763   -5.078614    2.021832
 9               2.412428   -5.919490    0.023265
 9               4.355680   -5.241786    0.727262

-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









