%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                 -2.95695000    0.97509400   -2.15753400
 N                 -0.78994800    0.84988900   -1.43789100
 C                 -1.85924400    1.47492800   -1.97382400
 O                 -1.62090700    2.77140900   -2.29057600
 C                  0.51081400    1.31873900   -1.50660100
 C                  1.34557300    0.95693500   -0.42242900
 C                  1.10449900    1.90836600   -2.64074500
 C                  2.74362100    0.85884600   -0.62609200
 C                  0.78047000    0.54808100    0.86332200
 C                  2.48525500    1.97402900   -2.76340400
 C                  3.55225000    0.14251400    0.31022400
 C                  3.33243000    1.39800300   -1.80187100
 C                  1.55719200   -0.22065600    1.69383700
 H                  2.92460700    2.40784700   -3.66562500
 C                  2.94542600   -0.47740200    1.43857000
 C                  4.94817200   -0.00804300    0.08011500
 C                  4.75550400    1.28237100   -1.97971000
 H                  1.14130900   -0.55614700    2.64778300
 C                  3.73240200   -1.24377200    2.31029800
 C                  5.70141500   -0.77737700    0.98114900
 C                  5.52970400    0.61435500   -1.08446400
 H                  5.20421300    1.72993700   -2.87041600
 C                  5.09794400   -1.39050900    2.07787100
 H                  3.26512000   -1.71132300    3.18017900
 H                  6.77371300   -0.89858400    0.80764800
 H                  6.60653300    0.51763100   -1.24304900
 H                  5.70249700   -1.98781400    2.76330800
 C                 -2.68473400    3.48108000   -2.89192600
 H                 -3.01098400    3.00325100   -3.82895600
 H                 -3.54958100    3.55657300   -2.21548800
 H                 -2.30130700    4.48615700   -3.10752800
 H                  0.46915800    2.24794700   -3.45858800
 Rh                -0.86139284   -0.91260967   -0.24750585
 C                 -0.39961884   -2.94872867    0.29514715
 C                  0.10138516   -2.73548267   -1.06384585
 C                 -1.81021684   -2.78276767    0.29166015
 C                 -0.99020584   -2.38317467   -1.87241585
 C                 -2.18771484   -2.34397067   -1.03345685
 C                 -0.48769100    1.16336300    1.46061200
 C                 -1.54444900    0.41877500    1.12005000
 Br                -3.32636200    0.63833800    1.74330400
 C                  0.42659916   -3.40766367    1.45237715
 H                  0.40502416   -4.50826067    1.51009315
 H                  1.47510116   -3.09930667    1.34807715
 H                  0.04281116   -3.01403467    2.40316315
 C                 -2.72943084   -3.03799667    1.43953015
 H                 -3.04951784   -4.09278467    1.43675415
 H                 -2.23707084   -2.83713367    2.40083915
 H                 -3.62708484   -2.40912067    1.38306415
 C                 -3.57214284   -2.10615067   -1.53217185
 H                 -3.91759484   -2.97388667   -2.11835185
 H                 -4.27147584   -1.95219267   -0.70027285
 H                 -3.59798484   -1.20764067   -2.16112885
 C                 -0.98210684   -2.02451267   -3.32270085
 H                 -1.29737884   -2.88722667   -3.93128685
 H                 -1.67981284   -1.19842067   -3.51774285
 H                  0.01741016   -1.71751667   -3.65936885
 C                  1.53675816   -2.83301467   -1.46898185
 H                  1.82006516   -3.88259067   -1.64800385
 H                  1.73209016   -2.26695367   -2.38970085
 H                  2.19985616   -2.44140567   -0.68383985
 C                 -0.27223800    2.34553000    2.43278500
 C                 -1.33193600    3.42964200    2.17217300
 H                 -1.30237300    3.76307600    1.12300600
 H                 -2.34828700    3.07071300    2.38274100
 H                 -1.14553200    4.30509200    2.81500300
 C                  1.10467200    2.99769300    2.23510000
 H                  1.93484600    2.31705500    2.47318300
 H                  1.23947600    3.35439700    1.20198300
 H                  1.19375500    3.86837700    2.90380900
 C                 -0.38640500    1.84795900    3.88198400
 H                 -1.36904700    1.38830300    4.06636100
 H                  0.38910600    1.09947300    4.10730900
 H                 -0.26096100    2.68438100    4.58971300

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





