%nprocshared=20
%mem=40GB
#p opt=(calcfc,ts,noeigentest,maxstep=4) freq=noraman wb97xd/genecp
scrf=(smd,solvent=dichloroethane) integral=grid=ultrafine

Title Card Required

0 1
 Rh                 1.44370100   -0.53473500    0.52072400
 O                  1.82669100   -0.90685600   -1.53642600
 N                 -0.41414100   -0.93506200   -2.22166300
 C                  0.87587500   -1.11843700   -2.34332600
 O                  1.21875700   -1.66021300   -3.53089100
 C                 -1.00610300   -0.22181400   -1.21860000
 C                 -2.43961000   -0.21955800   -1.18532300
 C                 -0.29863100    0.52292400   -0.22744500
 C                 -3.13190100    0.54229400   -0.21094000
 C                 -3.20552300   -1.00649600   -2.11226600
 C                 -1.02176100    1.30543200    0.68735100
 C                 -4.56449200    0.51288700   -0.15880300
 C                 -2.41430900    1.34528100    0.72572600
 C                 -4.56352000   -1.05149300   -2.05872200
 H                 -2.65713200   -1.57241600   -2.86582200
 H                 -0.46565200    1.92373000    1.39983500
 C                 -5.29434900   -0.29571700   -1.07615000
 C                 -5.26185000    1.28685900    0.81683900
 C                 -3.14611600    2.13295000    1.68518800
 H                 -5.12644500   -1.65987900   -2.77148400
 C                 -6.69777700   -0.32300400   -0.99894200
 C                 -6.66088100    1.23086100    0.85707700
 C                 -4.50167300    2.10679300    1.73317700
 H                 -2.57867700    2.75145700    2.38629300
 C                 -7.36757000    0.43075300   -0.04172300
 H                 -7.25708300   -0.94403500   -1.70326100
 H                 -7.19631300    1.82207600    1.60444100
 H                 -5.04625200    2.70181900    2.47058600
 H                 -8.45887900    0.39962000    0.00608000
 C                  2.57984900   -1.96863000   -3.75462200
 H                  3.20832300   -1.06532100   -3.73396800
 H                  2.63077400   -2.42247800   -4.75254300
 H                  2.96025300   -2.68359500   -3.00986400
 C                  0.26291400   -1.81062300    1.79492900
 C                  1.21439300   -2.59258100    1.06917900
 C                  0.99619300   -0.84538400    2.58338400
 C                  2.54387300   -2.15881600    1.43521100
 C                  2.40087600   -1.08871900    2.37119900
 O                  2.77854900    1.09671600    0.22996400
 C                  2.56960600    2.01669900   -0.59105500
 O                  1.47638100    2.13931900   -1.22214100
 C                  3.65884100    3.05324300   -0.86213400
 H                  0.70371200    1.33015100   -0.76680000
 C                  3.08535700    4.44056100   -0.53296900
 H                  2.19919700    4.66171600   -1.14509300
 H                  3.84346600    5.21441900   -0.72963100
 H                  2.79757700    4.51102400    0.52798600
 C                  4.01112100    2.97121600   -2.35599200
 H                  4.39031200    1.97070000   -2.61802800
 H                  4.79292700    3.70811600   -2.59646300
 H                  3.13358200    3.18146500   -2.98388500
 C                  4.89874600    2.77717500   -0.01026500
 H                  4.67111700    2.83580100    1.06438300
 H                  5.67440400    3.52523100   -0.23560300
 H                  5.31480600    1.78000400   -0.21536200
 C                  0.40790800    0.09934800    3.58031700
 H                  0.43863400   -0.34907300    4.58662200
 H                  0.96710900    1.04466600    3.61748000
 H                 -0.63972200    0.32759700    3.34564000
 C                  3.51532800   -0.32790100    3.00633900
 H                  3.19274300    0.67766800    3.30524800
 H                  3.85377300   -0.85921200    3.91015600
 H                  4.37189400   -0.23185300    2.32658400
 C                  3.81432400   -2.75775200    0.92785000
 H                  3.73220800   -3.01131700   -0.13785200
 H                  4.66062500   -2.06910500    1.05221300
 H                  4.04856200   -3.68604100    1.47394800
 C                  0.90522300   -3.69630200    0.11424300
 H                  1.69675100   -3.80530200   -0.63876300
 H                  0.82608600   -4.64739200    0.66532600
 H                 -0.04654400   -3.52389500   -0.40463600
 C                 -1.21502500   -2.01566500    1.80276600
 H                 -1.55704000   -2.52380700    0.89240300
 H                 -1.48674800   -2.64683600    2.66430300
 H                 -1.75891200   -1.06722200    1.89556300

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

-Rh
def2TZVPP





