%nprocshared=8
%mem=2GB
%chk=CGET_VI_nbo.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane) pop=NBO6read pop=full gfoldprint gfinput gfprint

Title Card Required

1 1
 C                 -1.98050000   -1.44750400    0.11483400
 C                 -4.60874400   -1.81666100    1.04425400
 C                 -0.54087400   -1.32087700   -0.28928000
 C                  0.34077300   -0.39208700    0.13993800
 C                 -3.04960800   -0.65732800   -0.32598400
 C                 -4.37815400   -0.82276500    0.09508800
 C                 -2.27858300   -2.44227500    1.05000100
 C                 -3.57248500   -2.61283800    1.51986600
 H                 -5.61836900   -1.96168900    1.41378100
 H                 -3.77534700   -3.37763900    2.26167500
 H                 -1.48147600   -3.08236000    1.41297700
 C                  0.08294000    1.37182600    2.95505200
 C                 -0.95319700    0.38240800    2.91141500
 C                 -0.54058100    2.66161900    2.72723700
 H                 -0.85263900   -0.67838400    3.08687200
 H                 -0.00871700    3.60097700    2.65913600
 C                 -2.14508500    1.04177500    2.52467300
 H                 -3.09514600    0.55723300    2.33843700
 C                 -1.89535100    2.46488600    2.45634600
 H                 -2.61476300    3.22205700    2.17896900
 H                  1.11585900    1.20916400    3.23156000
 Si                 2.22851000   -0.61715500    0.56945000
 Br                -0.01659300   -3.01759700   -1.20679100
 C                  3.01008400    1.12332500    0.72637100
 H                  2.20256300    1.78017000    1.06292300
 C                  2.03038700   -1.61033700    2.21371000
 H                  1.01179500   -1.38430900    2.54522600
 C                  3.22265500   -1.70127200   -0.64842500
 H                  2.79540000   -2.70354800   -0.53627700
 O                  0.44819200    2.75424100   -0.15753000
 C                  0.65003900    3.15801300   -1.34439500
 O                  0.55718200    2.48392900   -2.40016500
 Ag                 0.30184500    0.28900300   -2.19031200
 C                  1.05441900    4.60963600   -1.48787700
 H                  1.22598600    5.07551600   -0.51738500
 H                  1.95602200    4.67949100   -2.10154000
 H                  0.25669400    5.14660800   -2.01060500
 Rh                -0.62709400    1.27524000    0.96388800
 O                 -1.91911700    1.28788600   -0.90933100
 O                 -3.40554000    0.54356900   -2.26307800
 N                 -2.78275100    0.44679500   -1.23186300
 C                  4.17178600    1.27447600    1.72350000
 C                  3.46936000    1.66441400   -0.63871100
 C                  3.18231400   -1.36600400   -2.14403300
 C                  4.68354100   -1.77659200   -0.16526800
 C                  2.96245800   -1.24689000    3.37690500
 C                  2.07878400   -3.13111100    1.98573000
 H                  4.64023300    2.25797000    1.59110200
 H                  3.84433800    1.21325200    2.76231000
 H                  4.95510700    0.52367600    1.57673100
 H                  2.79634600   -0.23098500    3.74393900
 H                  2.78221700   -1.92657500    4.21925000
 H                  4.01970100   -1.33901600    3.10673000
 H                  3.08208400   -3.46500500    1.69946800
 H                  1.81565700   -3.65473700    2.91287300
 H                  1.38342200   -3.46702100    1.21198000
 H                  4.40275200    1.18896600   -0.95718900
 H                  2.73690500    1.52019700   -1.43700700
 H                  3.66067900    2.74216800   -0.56761900
 H                  5.21192700   -0.83291600   -0.33717500
 H                  4.76155700   -2.00911100    0.90278400
 H                  5.22612100   -2.55858700   -0.71007700
 H                  3.71774400   -2.13203800   -2.71832900
 H                  2.15879400   -1.35015500   -2.54574100
 H                  3.64844300   -0.40425900   -2.36974200
 C                 -5.51095100    0.03767300   -0.39592700
 H                 -5.27241400    1.10428100   -0.33735300
 H                 -5.75582800   -0.19058800   -1.43619200
 H                 -6.39857600   -0.14331900    0.21238800

-C -H -O -Si -N -F
6-31G(d,p)
****
-Br
LANL2DZ
D 1 1.0
0.428 1.0
****
-Rh
LANL2DZ
F 1 1.0
1.35 1.0
****
-Ag
LANL2DZ
F 1 1.0
1.611 1.0
****

-Br -Rh -Ag
LANL2DZ

$nbo nlmo nbonlmo naonlmo plot archive file=VI_NBO $end




