%mem=162GB
%nprocshared=36
%chk=ts1-acid-add-c1-PF6-X2n-t3-ircF.chk
#P B3LYP/GenECP OPT Freq=NoRaman SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3BJ

Opt after IRC

0 1
 C                  3.94493000    0.77574100   -1.20484300
 C                  4.78437400    1.37057600   -2.33844700
 C                  5.53397700    2.61973900   -1.77572500
 H                  6.29892300    2.26938000   -1.07559000
 H                  6.05261900    3.08928500   -2.61932300
 C                  4.63881400    3.61784600   -1.07980200
 C                  3.98882100    4.64477200   -1.77669000
 H                  4.15945200    4.76472500   -2.84294400
 C                  3.14099600    5.52626600   -1.10344700
 H                  2.65208900    6.32858200   -1.64878100
 C                  4.42022500    3.50380500    0.29770900
 H                  4.92838000    2.71842800    0.84827300
 C                  5.82253700    0.31925100   -2.77694500
 H                  6.45903900    0.73820700   -3.56368900
 H                  6.45466500    0.01594400   -1.93856600
 H                  5.32859100   -0.57273500   -3.17890400
 C                  3.89752600    1.75578900   -3.53032600
 H                  4.52304200    2.17665800   -4.32507700
 H                  3.37722300    0.87965900   -3.92872100
 H                  3.14369100    2.49475100   -3.25217100
 C                  2.79641300   -2.62562700   -0.60379200
 C                  3.00438700   -3.93121600   -1.37394300
 C                  2.92605200   -5.10867000   -0.35247600
 H                  3.02131000   -6.03656700   -0.92799300
 H                  3.79424700   -5.04386600    0.31039000
 C                  1.66151900   -5.12703400    0.47374800
 C                  0.50193900   -5.77682800    0.03267000
 H                  0.51132400   -6.31783900   -0.90944600
 C                 -0.65799700   -5.75081500    0.80780000
 H                 -1.53993300   -6.28161200    0.46604500
 C                  1.62521500   -4.45878600    1.70327200
 H                  2.52421200   -3.96763800    2.06136400
 C                  4.41672300   -3.89884500   -1.99241400
 H                  5.18282100   -3.77701700   -1.22243400
 H                  4.60209900   -4.83610700   -2.52787000
 H                  4.50991300   -3.07444200   -2.70847700
 C                  1.95640900   -4.09358800   -2.47649300
 H                  2.12151000   -5.04071600   -3.00179000
 H                  0.94323700   -4.09307600   -2.07362800
 H                  2.02720600   -3.28161900   -3.20367800
 O                  2.67623300    0.80725800   -1.35269600
 O                  4.55418100    0.29746200   -0.19943800
 O                  1.79790200   -1.89412900   -0.92505000
 O                  3.63507500   -2.35362100    0.30712200
 Rh                 3.48086300   -0.58450500    1.33808000
 C                  2.26927000    1.92452300    2.02248600
 C                  2.09625900    3.24048400    2.78787100
 C                  3.31857200    4.15541000    2.46189500
 H                  4.20856400    3.70846400    2.91571100
 H                  3.14130800    5.11356200    2.96378200
 C                  3.56070800    4.36696400    0.98608500
 C                  2.92588500    5.38895100    0.26910100
 H                  2.27455000    6.08672100    0.78818400
 C                  2.09946800    2.92212800    4.29633800
 H                  2.00096600    3.85179400    4.86705300
 H                  3.02623900    2.42465100    4.59315600
 H                  1.25725300    2.27159900    4.55849900
 C                  0.78050200    3.92628700    2.40723900
 H                  0.70033100    4.88317000    2.93423500
 H                 -0.06631300    3.30333600    2.69945500
 H                  0.70928300    4.10532800    1.33435200
 O                  1.39601900    1.64360800    1.13844500
 O                  3.27117200    1.20348100    2.31926800
 C                  0.99128900   -1.49446000    2.53904600
 C                  0.07544000   -2.10906000    3.60062300
 C                  0.46679200   -3.61046600    3.77094700
 H                 -0.23828200   -4.04545200    4.48846700
 H                  1.46282500   -3.65460100    4.22321700
 C                  0.46346600   -4.39988300    2.48211700
 C                 -0.68244400   -5.06136300    2.02143200
 H                 -1.58812100   -5.05037000    2.62191800
 C                  0.32085500   -1.36839800    4.92992200
 H                  1.36996700   -1.43186000    5.23041900
 H                 -0.29779900   -1.81246100    5.71710700
 H                  0.04900200   -0.31025500    4.84020100
 C                 -1.39749100   -1.96943200    3.19069400
 H                 -2.03444200   -2.35645000    3.99414100
 H                 -1.62054600   -2.52433500    2.27715000
 H                 -1.65831300   -0.92447800    3.00848800
 O                  0.41986700   -1.08067800    1.47665400
 O                  2.23831400   -1.43414200    2.76927300
 Rh                 1.47171900   -0.09978800    0.03357800
 C                 -0.13068000    0.40816700   -0.87840500
 C                 -0.24313200    1.58490700   -1.77585600
 O                 -0.27953600    2.76867200   -1.21334400
 C                 -0.22269600    3.91788600   -2.13052400
 O                 -0.14484200    1.33391400   -2.96895700
 H                 -0.94769200    3.74135700   -2.92316800
 H                  0.78819200    3.94273200   -2.54461800
 C                 -0.54183300    5.15494600   -1.32403800
 H                  0.17256700    5.28662200   -0.50833000
 H                 -0.47783400    6.02798400   -1.98216100
 H                 -1.55484700    5.10585000   -0.92024200
 C                 -2.02647200   -3.51791700   -2.19174800
 C                 -1.48761900   -2.22499200   -2.23776600
 C                 -0.71542300   -1.78225800   -3.30027200
 C                 -0.46027100   -2.66563700   -4.35404100
 C                 -0.96461500   -3.96486000   -4.33119200
 C                 -1.73997800   -4.38737500   -3.25602100
 I                 -1.96018700   -0.82150700   -0.65082400
 C                 -2.94234100   -3.93097000   -1.10326800
 O                 -3.30117800   -5.21188300   -1.15716900
 C                 -4.25807000   -5.63904000   -0.16246400
 O                 -3.35854500   -3.15467600   -0.25064500
 H                 -0.32808100   -0.77158200   -3.33118100
 H                  0.13868800   -2.32298900   -5.19169100
 H                 -0.76194800   -4.64579100   -5.15076500
 H                 -2.15342900   -5.38817100   -3.23119900
 H                 -5.18853400   -5.07955700   -0.27760700
 H                 -3.85420100   -5.47986300    0.83909500
 H                 -4.41533900   -6.69858800   -0.35484000
 C                 -2.22566800    2.25192800    1.64238700
 O                 -1.65590300    1.25143300    1.22122300
 O                 -2.60876900    3.26736300    0.87396200
 H                 -2.53328400    2.99903300   -0.07257200
 C                 -2.64221700    2.41114500    3.08249800
 H                 -2.14899400    1.62971200    3.66523200
 H                 -2.33738700    3.38972200    3.46525700
 C                 -4.19631600    2.28362700    3.19752100
 C                 -4.59398400    2.21788700    4.64945500
 C                 -5.32339600    3.14660100    5.26773500
 H                 -5.58289300    3.06192400    6.31949400
 H                 -5.69071400    4.02571600    4.74219400
 H                 -4.23857200    1.35395500    5.21059900
 C                 -4.68461100    1.10223700    2.36944500
 C                 -5.18627800    1.33894400    1.08461100
 C                 -5.53801700    0.28144800    0.24485400
 C                 -5.40149300   -1.03394400    0.68911000
 C                 -4.90155600   -1.28252400    1.97108300
 C                 -4.54455800   -0.22267800    2.80458200
 H                 -4.13960500   -0.43471400    3.78950400
 H                 -4.77278200   -2.30511400    2.31279800
 H                 -5.65739600   -1.86352300    0.03865100
 H                 -5.88255900    0.49655700   -0.76082100
 H                 -5.26828100    2.35509100    0.71714500
 H                 -4.62286100    3.19327500    2.76324400
 F                 -2.97576800    2.13982900   -1.50735600
 P                 -3.99941500    2.73285000   -2.69873100
 F                 -4.98043700    3.31056600   -3.85156700
 F                 -2.80953200    2.48820800   -3.78729500
 F                 -4.53620500    1.21114900   -2.94002000
 F                 -5.14742800    2.96165800   -1.56301300
 F                 -3.41069000    4.22724500   -2.39360900

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

Rh I 0
SDD


