%nprocshared=20
%mem=40GB
#p opt=maxstep=2 freq=noraman wb97xd/genecp
scrf=(smd,solvent=dichloroethane) integral=grid=ultrafine

Title Card Required

0 1
 O                 -2.87000800    2.12520200   -1.12748500
 N                 -0.69644100    1.49927700   -0.77234700
 C                 -1.74135500    2.36890800   -0.73749100
 O                 -1.44684900    3.56492000   -0.18430000
 C                  0.63005800    1.88383100   -0.67076500
 C                  1.52013300    0.86308300   -0.27826400
 C                  1.17722700    3.13764000   -1.02647800
 C                  2.92100200    1.05246000   -0.33006600
 C                  0.97360900   -0.41624700    0.10480200
 C                  2.55001400    3.34180300   -1.01993400
 C                  3.79542900   -0.04551600   -0.05776100
 C                  3.45418700    2.31745800   -0.69056900
 C                  1.81531200   -1.46274100    0.34045800
 H                  2.94228400    4.32045700   -1.31018300
 C                  3.24614800   -1.32160200    0.25556500
 C                  5.20585600    0.13404300   -0.12299800
 C                  4.88363000    2.47746400   -0.73058800
 H                  1.42431700   -2.43713600    0.62593400
 C                  4.11738700   -2.39517000    0.49693000
 C                  6.04102000   -0.96622500    0.12947300
 C                  5.72035300    1.44082800   -0.45735000
 H                  5.28942300    3.45745800   -0.99592300
 C                  5.49794600   -2.21342700    0.43281400
 H                  3.70173000   -3.37670100    0.73878000
 H                  7.12517200   -0.83589900    0.08143200
 H                  6.80401900    1.57704700   -0.49748800
 H                  6.16240500   -3.05900500    0.62410000
 C                 -2.49811600    4.50876100   -0.11436300
 H                 -2.91403100    4.72386700   -1.11047000
 H                 -3.30871000    4.15324500    0.53937500
 H                 -2.06205700    5.42305500    0.30681500
 H                  0.51920600    3.94805500   -1.33287600
 Rh                -1.01800800   -0.59113800   -0.52342300
 C                 -0.98346800   -2.68082800   -1.23464500
 C                 -0.62540900   -1.82430000   -2.33378100
 C                 -2.31565800   -2.34970300   -0.81390400
 C                 -1.73063700   -0.94971800   -2.56283800
 C                 -2.79086600   -1.28278100   -1.63785700
 C                 -0.42888300   -0.23637200    1.71372400
 C                 -1.62201000   -0.01674800    1.30727300
 Br                -3.27404700    0.48300900    1.96217500
 C                 -0.20662300   -3.85641200   -0.73467900
 H                 -0.65332900   -4.78181000   -1.13348100
 H                  0.84000000   -3.82505100   -1.06123500
 H                 -0.23059100   -3.92870500    0.36197200
 C                 -3.07652500   -3.06635000    0.25486000
 H                 -3.54820500   -3.97387700   -0.15603000
 H                 -2.41533900   -3.37679300    1.07621700
 H                 -3.87032100   -2.43652300    0.67796200
 C                 -4.16482200   -0.69513200   -1.64614400
 H                 -4.72958200   -1.05698500   -2.52126000
 H                 -4.72358000   -0.97812100   -0.74432300
 H                 -4.10993300    0.39975300   -1.68138200
 C                 -1.82930900    0.10365500   -3.61657300
 H                 -2.32047300   -0.31167100   -4.51160700
 H                 -2.42413000    0.95191200   -3.25419300
 H                 -0.83875600    0.47350800   -3.91353800
 C                  0.65780200   -1.86842100   -3.10058100
 H                  0.61789000   -2.63185100   -3.89399900
 H                  0.87190400   -0.90021600   -3.57366100
 H                  1.50461100   -2.11229100   -2.44326400
 C                  0.37791600   -0.33860100    2.99657400
 C                 -0.56322500    0.21453600    4.08793800
 H                 -0.86221900    1.25146600    3.87588800
 H                 -1.47155200   -0.39624900    4.19349000
 H                 -0.03383000    0.20411200    5.05246100
 C                  1.65048800    0.51778600    3.00114000
 H                  2.41982000    0.13009100    2.32366600
 H                  1.43153800    1.55950700    2.72295400
 H                  2.07532100    0.51821900    4.01664000
 C                  0.70872000   -1.79670200    3.34779300
 H                 -0.18470900   -2.43609300    3.27563800
 H                  1.49002300   -2.21274000    2.70035800
 H                  1.07967600   -1.84508600    4.38352900

-Rh
def2TZVPP
****
-P -C -H -O -N -Br
def2SVP
****

-Rh
def2TZVPP






