%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                 -2.86808000    2.02012400   -1.00116400
 N                 -0.68334600    1.42661200   -0.67806100
 C                 -1.72328600    2.30238200   -0.69547400
 O                 -1.40107300    3.55231500   -0.29793100
 C                  0.65060700    1.79374100   -0.63460900
 C                  1.52939000    0.78948300   -0.17680800
 C                  1.21013700    3.00669200   -1.09486000
 C                  2.93365200    0.96367900   -0.23327000
 C                  0.97312000   -0.45624400    0.29291800
 C                  2.58544500    3.19135800   -1.11398800
 C                  3.79840800   -0.10796400    0.14863800
 C                  3.47829600    2.18914000   -0.69980000
 C                  1.80685600   -1.47508100    0.64933700
 H                  2.98845100    4.13767600   -1.48664800
 C                  3.23899200   -1.34380000    0.58257100
 C                  5.21105500    0.05834300    0.08203900
 C                  4.90897800    2.33432400   -0.75011400
 H                  1.40650700   -2.40942700    1.04473000
 C                  4.10320200   -2.38900200    0.94569400
 C                  6.03802600   -1.01322000    0.45574700
 C                  5.73630900    1.32219900   -0.37605300
 H                  5.32278600    3.28275900   -1.10359800
 C                  5.48482100   -2.21962900    0.88133900
 H                  3.68087200   -3.33984700    1.28201800
 H                  7.12323200   -0.89214200    0.40768100
 H                  6.82115600    1.44705000   -0.42278800
 H                  6.14305300   -3.04347700    1.16771300
 C                 -2.45200000    4.49889500   -0.27542900
 H                 -2.90010700    4.62856100   -1.27204200
 H                 -3.24062300    4.20053100    0.43136400
 H                 -2.00453000    5.44573500    0.05174000
 H                  0.55955600    3.79836700   -1.45985900
 Rh                -1.03212200   -0.62796900   -0.32464200
 C                 -1.03158900   -2.74933500   -0.92136800
 C                 -0.63529400   -1.95919200   -2.05798100
 C                 -2.36240200   -2.36894900   -0.54687700
 C                 -1.71730400   -1.07726900   -2.35919100
 C                 -2.79693700   -1.33215300   -1.43254200
 C                 -0.44772300   -0.26177800    1.84946600
 C                 -1.63504000    0.03469200    1.48363600
 Br                -3.19904300    0.59640800    2.27974700
 C                 -0.27821500   -3.90050400   -0.33726300
 H                 -0.71020800   -4.84450300   -0.70744100
 H                  0.78078300   -3.88378700   -0.62385100
 H                 -0.34322500   -3.91773500    0.75977000
 C                 -3.17163000   -3.00571800    0.53650600
 H                 -3.68670000   -3.90004400    0.14955500
 H                 -2.53905800   -3.32241100    1.37758800
 H                 -3.93688400   -2.31988000    0.92390200
 C                 -4.16647000   -0.73845500   -1.48366500
 H                 -4.83111700   -1.37284100   -2.09339500
 H                 -4.60234600   -0.65678400   -0.47883300
 H                 -4.13885100    0.26991300   -1.90965700
 C                 -1.76097200   -0.07582000   -3.46625400
 H                 -2.23292500   -0.52265100   -4.35621500
 H                 -2.34643200    0.80280200   -3.16637000
 H                 -0.75349800    0.25836400   -3.74771800
 C                  0.66136800   -2.07020800   -2.79442900
 H                  0.62031000   -2.87624300   -3.54483600
 H                  0.90387000   -1.13506000   -3.31711900
 H                  1.49051000   -2.29243400   -2.10771100
 C                  0.38012200   -0.45131300    3.07256400
 H                  0.81604100   -1.46117000    3.07883300
 H                 -0.34626200   -0.41890500    3.90304600
 C                  1.46309000    0.59842700    3.30503600
 H                  2.26126500    0.53563700    2.55366500
 H                  1.04122500    1.61427900    3.27254900
 H                  1.92022100    0.44833700    4.29480200

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

-Rh
def2TZVPP





