%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              5.648736   -0.868202   10.488403
35              7.665046    0.455877    4.693708
35             -0.307711   -1.407295    8.488428
35              5.852798    4.743935   13.223946
 6              5.943439   -2.898148   10.661846
 7              5.760836   -0.101873    8.261513
 7              5.261639    1.113521    7.916774
 7              3.173824   -0.087911   10.185212
 7              3.076079    0.766790    9.130121
 7              5.626366    1.394514   10.900867
 7              4.862545    2.246517   10.158921
 6              6.592578   -0.476247    7.298760
 6              6.654791    0.494933    6.282040
 6              5.787437    1.494193    6.726462
 6              2.118019   -0.886662   10.126606
 6              1.299931   -0.581015    9.019457
 6              1.961530    0.484250    8.410380
 6              6.039598    2.064229   11.969218
 6              5.555363    3.384803   11.956340
 6              4.807798    3.451129   10.781696
 8              4.515528   -4.790031   10.944911
 6              4.867527   -3.841517   10.271552
 5              4.199626    1.794900    8.830148
 1              3.752396    2.736546    8.266632
 1              6.931109   -3.361709   10.561173
 8              4.345045   -3.449309    9.107311
 6              3.287182   -4.270847    8.525943
 1              2.459090   -4.308152    9.238399
 1              3.672200   -5.285716    8.385923
 6              2.896199   -3.610878    7.221676
 1              2.085562   -4.176971    6.752519
 1              2.547358   -2.589649    7.396594
 1              3.743552   -3.577712    6.530418
 1              6.051697   -3.146521   12.561269
 6              6.317332   -3.891087   13.339467
 1              6.735752   -4.787079   12.880703
 1              7.044189   -3.422103   14.007993
 1              5.397631   -4.141121   13.871718
35              1.884198   -2.232156   11.430922
35              1.479952    1.410187    6.842376
35              7.511603   -2.119777    7.431892
35              5.379734    3.124422    5.879902
35              3.857926    4.934172   10.117068
35              7.118782    1.208697   13.256982

-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 0
6-31G(d,p)
****

Ag Br 0
LANL2DZ









