%mem=122GB
%nprocshared=24
%chk=Rh2_esp2_I_COOEt-PF6-x.chk
#P B3LYP/GenECP OPT=(MaxCycle=100) Freq=NoRaman SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3BJ 

Rh2(esp)2-IAr-COOEt-PF6

0 1
 C                 -0.38197300   -0.28603400   -1.34016300
 C                 -0.39126700   -1.34500000   -2.38246200
 C                 -0.44572200   -3.60199300   -3.01295900
 H                 -1.33964800   -3.44959300   -3.61577100
 H                  0.45655400   -3.54441600   -3.62381800
 C                  0.00346200    1.63357300    2.28322400
 C                 -0.87807600    2.71621700    2.91082700
 C                 -1.88275700    2.00760400    3.88176700
 H                 -1.34324800    1.75458500    4.80004200
 H                 -2.64394800    2.75074900    4.14669200
 C                 -2.51852900    0.75406100    3.32583000
 C                 -3.61613300    0.78340000    2.45414800
 H                 -4.07860900    1.73096600    2.19269000
 C                 -4.11858600   -0.40283000    1.91647200
 H                 -4.95021300   -0.37780400    1.21837500
 C                 -1.96104400   -0.48729900    3.65094200
 H                 -1.11128900   -0.52054500    4.32789700
 C                  0.00206100    3.68882600    3.71480600
 H                 -0.63236100    4.43368300    4.20697200
 H                  0.57888900    3.16133100    4.47809600
 H                  0.70088700    4.21800500    3.05693100
 C                 -1.63829800    3.48210200    1.82204700
 H                 -2.24180100    4.27105200    2.28317100
 H                 -0.94835300    3.94679000    1.11193400
 H                 -2.30182500    2.81822600    1.26883000
 C                  3.06192600    1.81043500    0.33469200
 C                  3.94300800    2.98175100   -0.10083100
 C                  5.41383400    2.46584900   -0.20426100
 H                  6.01828000    3.30457700   -0.56779900
 H                  5.76126400    2.22559900    0.80517200
 C                  5.59030900    1.26080900   -1.09859000
 C                  5.81486300    1.39142100   -2.47527100
 H                  5.91042600    2.38110000   -2.91348400
 C                  5.93328000    0.25800500   -3.28124700
 H                  6.12117100    0.36881800   -4.34553200
 C                  5.49977900   -0.02627600   -0.55577300
 H                  5.34385800   -0.13737400    0.51233000
 C                  3.86951800    4.06296500    0.99742600
 H                  4.19898600    3.66890900    1.96213600
 H                  4.51325400    4.90557900    0.72368100
 H                  2.84581100    4.43905500    1.10672500
 C                  3.46792400    3.56725700   -1.43392400
 H                  4.13553100    4.38343900   -1.73056100
 H                  3.46207000    2.81696600   -2.22767500
 H                  2.45672400    3.96875800   -1.33752900
 O                 -0.26250600    1.30257800    1.07672800
 O                  0.92041900    1.12078100    2.99394300
 O                  2.11982400    1.43955100   -0.44812000
 O                  3.32278300    1.27336100    1.45351100
 O                 -0.40197500   -2.58998100   -1.97460400
 Rh                 0.87709400   -0.09566000    0.09790700
 Rh                 2.17827800   -0.28263900    2.15169100
 O                 -0.30816600   -0.93717800   -3.53309500
 C                  0.12043200   -2.24324900    2.00400000
 C                 -0.70498400   -3.46556000    2.41230600
 C                 -1.76027500   -2.98254800    3.46630200
 H                 -1.24876400   -2.86730200    4.42766900
 H                 -2.48682300   -3.79531800    3.57901300
 C                 -2.45450400   -1.68566700    3.12248500
 C                 -3.54578600   -1.63084400    2.24902500
 H                 -3.94191800   -2.53779100    1.80880400
 C                  0.21958100   -4.50288200    3.07476900
 H                 -0.37834800   -5.35542600    3.41436200
 H                  0.74516400   -4.08010600    3.93441100
 H                  0.96426700   -4.87335900    2.36121500
 C                 -1.39273600   -4.08971000    1.19076400
 H                 -1.95568400   -4.97278200    1.51324300
 H                 -0.64981200   -4.40849300    0.45233200
 H                 -2.06916800   -3.39931200    0.69422000
 O                 -0.16852100   -1.70143700    0.88654300
 O                  1.01729300   -1.83210200    2.80345800
 C                  3.07664900   -1.97617100   -0.04841600
 C                  3.94250000   -3.04809900   -0.71299100
 C                  5.41848100   -2.53771300   -0.72522600
 H                  6.01138800   -3.28695200   -1.26203200
 H                  5.77833600   -2.51467500    0.30811900
 C                  5.59576100   -1.17410700   -1.35163600
 C                  5.82034200   -1.01748400   -2.72537200
 H                  5.91890800   -1.89540300   -3.35790800
 C                  3.86037900   -4.32599300    0.14661200
 H                  4.19906000   -4.13623000    1.16836800
 H                  4.49168100   -5.10489400   -0.29400800
 H                  2.83231500   -4.70394300    0.18614600
 C                  3.44943700   -3.34544300   -2.13495500
 H                  4.08636200   -4.11400200   -2.58588000
 H                  3.47637700   -2.45579000   -2.76772000
 H                  2.42136200   -3.71670500   -2.11673500
 O                  2.15541700   -1.44783800   -0.75831400
 O                  3.33073300   -1.68137200    1.16034100
 I                 -2.31392600    0.73887100   -1.27341500
 C                 -1.43787600    2.62531600   -1.83292000
 C                 -2.12919700    3.80949100   -1.55389400
 C                 -0.23131700    2.61503800   -2.51541600
 C                 -1.54886900    5.02294300   -1.95155700
 C                  0.31447000    3.83632900   -2.92262800
 H                  0.28010100    1.68680500   -2.73869100
 C                 -0.33532100    5.03615400   -2.63353400
 H                 -2.07316000    5.94586300   -1.73517800
 H                  1.24933500    3.83615700   -3.47199300
 H                  0.09481300    5.97985300   -2.95116200
 C                 -3.45687600    3.77379000   -0.89541300
 O                 -4.10175800    2.73785900   -0.75238000
 O                 -3.87584300    4.96093900   -0.47514800
 C                 -5.16913200    4.98926100    0.17158000
 H                 -5.93811200    4.63071200   -0.51497500
 H                 -5.14844600    4.36385600    1.06607900
 H                 -5.33392200    6.03318700    0.43074400
 P                 -4.08795700   -2.60880300   -1.65201100
 F                 -5.22871800   -3.26665500   -2.59763400
 F                 -3.28900200   -2.04490900   -2.97524800
 F                 -2.91919200   -1.90829600   -0.70234600
 F                 -4.92935400   -1.20082000   -1.57709700
 F                 -3.20558900   -3.97632300   -1.70347300
 F                 -4.84663200   -3.13438400   -0.30848900
 C                 -0.52215374   -4.93925374   -2.25303013
 H                 -0.55815820   -5.74651224   -2.95441262
 H                  0.34172660   -5.04572491   -1.63071618
 H                 -1.40313480   -4.95465939   -1.64595926

H C O F P 0
6-31G*
****
Rh I 0
SDD
****

Rh I 0
SDD


