%nprocshared=20
%mem=2GB
%chk=CGMM_00015_TS8_wheland.chk
# sp b3lyp/genecp scrf=(smd,solvent=dichloroethane) empiricaldispersion=gd3 integral(grid=ultrafine)

Title Card Required

0 1
 Rh                 0.24057600   -0.02315200   -0.09691000
 O                  1.99383600    0.25246800    0.94826500
 O                 -1.55134200   -0.49562100   -1.06327400
 O                  1.21309200   -0.81163500   -1.73835700
 C                 -1.18630800   -0.28663400    2.40358700
 C                 -2.16262400    0.21282600    3.49100500
 F                 -3.41969400   -0.10917600    3.12455900
 F                 -1.90754200   -0.36110600    4.67544200
 F                 -2.09986700    1.54491700    3.63851700
 O                 -0.78609200    0.59307600    1.59618500
 O                 -0.94983400   -1.52554900    2.42215200
 Rh                 0.15679200   -2.31066000    0.83911400
 O                  1.95521400   -1.85817800    1.80566400
 O                  1.24851500   -2.90595200   -0.84008100
 O                 -1.63787900   -2.58887400   -0.16793400
 C                  2.43971100   -0.71087600    1.63242700
 C                 -2.07431100   -1.61961100   -0.84726300
 C                  3.77782100   -0.38909200    2.33225300
 F                  4.26958400   -1.44544500    2.98756100
 F                  3.60193000    0.61705600    3.20817600
 F                  4.68408600    0.00740000    1.41768300
 C                 -3.48575200   -1.79966200   -1.44662300
 F                 -4.38598300   -1.28573400   -0.58531000
 F                 -3.77894600   -3.09276500   -1.64269300
 F                 -3.60399800   -1.15441800   -2.61662600
 C                  1.52314100   -2.03417800   -1.70584700
 C                  2.44085400   -2.50556000   -2.85440400
 F                  2.32419100   -1.71941300   -3.93407400
 F                  3.72092400   -2.44767200   -2.42870800
 F                  2.17147200   -3.76811700   -3.21076700
 C                  1.64451600    2.31016700   -1.78317600
 C                  3.01004000    2.04308800   -1.24933200
 C                  0.43771900    2.39716400   -0.78663700
 H                  1.37709400    1.74728700   -2.67567000
 C                  3.73555400    0.78971700   -1.65107800
 H                  3.45087200   -0.05484900   -1.02229400
 H                  3.50260900    0.51192700   -2.68331300
 H                  4.81709000    0.92257300   -1.55736600
 C                  1.17633000    3.71586100   -1.72485500
 C                  3.59736800    2.97560700   -0.45428100
 C                  3.02452600    4.28086100   -0.20998000
 C                  1.88599500    4.64116500   -0.87531000
 H                  4.58242000    2.77136900   -0.04059400
 H                  1.49993300    5.65443000   -0.80050500
 C                  3.75811000    5.22686300    0.69893300
 C                  0.26417500    4.29289300   -2.78026000
 H                  0.83962100    5.00320000   -3.38456700
 H                 -0.13069600    3.52743800   -3.45083600
 H                 -0.57684300    4.83426500   -2.33491400
 H                  3.28051600    6.20961900    0.73450300
 H                  3.79712100    4.82739900    1.72038100
 H                  4.79755800    5.35635100    0.37284600
 H                  0.67767600    2.64192300    0.24161500
 C                 -0.97430500    2.30033500   -1.15147200
 H                 -1.19507300    1.92627100   -2.14679900
 C                 -1.97798500    2.55960100   -0.28427500
 H                 -1.71303500    2.87283100    0.72336300
 C                 -3.39759300    2.27761900   -0.50267200
 C                 -4.24204400    2.15151500    0.61899700
 C                 -3.96184100    2.08098600   -1.78002400
 C                 -5.59065500    1.82671100    0.47271700
 H                 -3.82277000    2.28446500    1.61286300
 C                 -5.30898500    1.75897100   -1.92394700
 H                 -3.34167600    2.18491300   -2.66548800
 C                 -6.13239500    1.62790500   -0.79969100
 H                 -6.21714900    1.72374500    1.35469600
 H                 -5.72058200    1.60928200   -2.91856800
 H                 -7.18214300    1.37401700   -0.91608200

-C -H -O -Si -N -F -Cl
6-311++G(d,p)
****
-Rh  
S   1   1.00
      2.6460000              1.0000000
S   1   1.00
      1.7510000              1.0000000
S   1   1.00
      0.5713000              1.0000000
S   1   1.00
      0.1438000              1.0000000
S   1   1.00
      0.0428000              1.0000000
P   1   1.00
      5.4400000              1.0000000
P   1   1.00
      1.3290000              1.0000000
P   1   1.00
      0.4845000              1.0000000
P   1   1.00
      0.0869000              1.0000000
P   1   1.00
      0.0257000              1.0000000
D   2   1.00
      3.6690000              0.0760059
      1.4230000              0.5158852
D   1   1.00
      0.5091000              1.0000000
D   1   1.00
      0.1610000              1.0000000
F   1   1.00
      1.3500000              1.0000000
****

-Rh
RH-ECP     3     28
f potential
  5
0    600.3243032             -0.0538958
1    157.6910176            -20.1316282
2     49.8841995           -105.3654121
2     15.5966895            -42.3274370
2      5.5099296             -3.6654043
s-f potential
  5
0     59.3442526              2.9753728
1     83.7426061             25.1230306
2     18.4530248            626.0926145
2     12.4194606           -812.2549385
2      8.8172913            467.3729340
p-f potential
  5
0     53.4309068              4.9537213
1     65.6671843             20.4871116
2     16.8369862            598.0120139
2     11.3042136           -718.4059028
2      8.0312444            382.8173151
d-f potential
  4
0     64.3993653              3.0279532
1     43.4625053             24.7526516
2     19.4020301            142.6844289
2      4.6879328             32.1406857





