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

Title Card Required

1 1
 C                  2.54107300   -0.87130600    0.48342100
 C                  1.70013000   -1.10903200   -0.62448500
 C                  3.93632600   -0.76659800    0.41162600
 C                  2.32179100   -1.22371600   -1.87839100
 C                  4.48863600   -0.88560300   -0.86076900
 C                  3.69732300   -1.10861900   -1.98903500
 H                  1.70640200   -1.42100700   -2.74960600
 H                  5.56423500   -0.79252200   -0.97015900
 H                  4.16725100   -1.19820500   -2.96220000
 Rh                 0.97068200    1.22617800   -0.10805500
 C                  1.72685800    3.30155900    0.37631100
 H                  2.12786800    3.56563000    1.34581300
 C                  0.30722400    3.23987700    0.04475000
 H                 -0.50321900    3.54973200    0.69086500
 C                  0.19341300    2.84109000   -1.31844100
 H                 -0.71204300    2.76415700   -1.89808900
 C                  2.45058800    2.85579300   -0.72180000
 H                  3.52021600    2.70645100   -0.77305200
 C                  1.49843600    2.48590700   -1.75574000
 H                  1.75061300    2.08075300   -2.72699500
 O                  1.14254300    0.26129000    1.92297900
 O                  2.14553700   -1.48822600    2.68920400
 C                  4.78423400   -0.50261800    1.62376900
 H                  4.40716800    0.35067900    2.19660000
 H                  5.80935300   -0.28368400    1.32137500
 H                  4.80193800   -1.37098200    2.28815900
 N                  1.90810100   -0.71419400    1.79876900
 Si                -2.35598100    0.14946400    0.14933900
 C                 -3.40996100   -1.43455100    0.16877700
 C                 -2.19160000    0.91104100    1.88870300
 C                 -2.97659500    1.42089800   -1.12194700
 H                 -2.81090900   -2.17217600    0.71898700
 H                 -1.29287400    1.54092200    1.81703800
 H                 -2.48821700    2.36258300   -0.83199100
 C                 -3.68290800   -1.99593400   -1.23521500
 C                 -4.73640200   -1.26959700    0.93041100
 C                 -2.56495200    1.07740900   -2.56364900
 C                 -4.49267200    1.66944100   -1.06705900
 C                 -1.90935600   -0.16264800    2.95118300
 C                 -3.34696900    1.82611500    2.31456900
 H                 -2.78795900    1.91060300   -3.24210800
 H                 -1.49955900    0.84095600   -2.66045000
 H                 -3.11983200    0.20815900   -2.92986800
 H                 -5.04873600    0.79292400   -1.41525800
 H                 -4.84881000    1.91078800   -0.06151900
 H                 -4.76558600    2.50550500   -1.72297600
 H                 -5.28103500   -2.22208200    0.94445700
 H                 -4.58793800   -0.96575800    1.97005000
 H                 -5.39132900   -0.53068100    0.45813300
 H                 -4.11536100   -3.00188800   -1.16989800
 H                 -4.40086200   -1.36861600   -1.77489200
 H                 -2.77886900   -2.06732500   -1.84743100
 H                 -4.29989300    1.28888200    2.36898800
 H                 -3.15668200    2.24901800    3.30919000
 H                 -3.47651800    2.66485700    1.62240300
 H                 -1.09562100   -0.83392000    2.65751100
 H                 -1.62203400    0.30031800    3.90301400
 H                 -2.79291400   -0.78006700    3.14423200
 C                 -0.53509200   -0.20632000   -0.27732800
 C                  0.22065200   -1.27813600   -0.47403500
 Br                -0.32736000   -3.14075400   -0.55917700

-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=V_NBO $end




