%mem=102GB
%nprocshared=24
%chk=cyc-prop-IAr-t1.chk
#P B3LYP/GenECP OPT=(MaxCycle=100) Freq=NoRaman SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3BJ 

Opt

1 1
 C                 -1.90237900    0.62738700   -0.72778900
 C                 -3.17462500   -0.02604100   -0.26470100
 O                 -3.87820300    0.83300800    0.46710100
 C                 -5.15025600    0.35019700    1.00222200
 O                 -3.50214200   -1.16741000   -0.52123600
 H                 -4.95058900   -0.55697900    1.57710100
 H                 -5.79254100    0.09247900    0.15639600
 C                 -5.72380800    1.46320700    1.85140400
 H                 -5.89286700    2.36442300    1.25418900
 H                 -6.68264300    1.14006100    2.26880700
 H                 -5.05162100    1.70916800    2.67903500
 C                  1.45711500   -2.05813000   -0.11884500
 C                  0.08425500   -2.01102700   -0.37828600
 C                 -0.86192300   -2.74193700    0.32091000
 C                 -0.41147300   -3.56193300    1.36155700
 C                  0.94454300   -3.62296000    1.67183100
 C                  1.86761200   -2.87653600    0.94180600
 I                 -0.68722900   -0.70706100   -1.94115600
 C                  2.45901700   -1.32712300   -0.94728100
 O                  3.62465200   -1.17399300   -0.32428900
 C                  4.62146200   -0.40897200   -1.03899000
 O                  2.22910700   -0.92327700   -2.07648400
 H                 -1.91553800   -2.67071200    0.08411200
 H                 -1.13378600   -4.14445700    1.92363900
 H                  1.29000000   -4.25372800    2.48361400
 H                  2.92378100   -2.92238700    1.17541500
 H                  4.24881200    0.60329500   -1.21067900
 H                  4.85365300   -0.88884400   -1.99145300
 H                  5.49242600   -0.39815800   -0.38636600
 C                  2.03871100    3.63386900   -0.16566100
 O                  2.68306800    2.92635200   -0.91709700
 O                  2.45433900    4.84905200    0.23112100
 H                  3.31510200    5.01974400   -0.19903900
 C                  0.67520600    3.30505700    0.40611600
 H                  0.63613500    3.61714700    1.45357400
 H                 -0.03752500    3.94209600   -0.13332500
 C                  0.29373000    1.81714400    0.23838000
 C                 -1.21328900    1.71519100    0.08010300
 C                 -1.88606800    2.07111500   -1.20537000
 H                 -1.25844400    2.31190700   -2.05965500
 H                 -2.84719700    2.57368700   -1.18834800
 H                 -1.77876600    1.94819500    0.97850800
 C                  0.82945500    0.95332900    1.37897900
 C                  2.21187800    0.89575900    1.61214400
 C                  2.73312300    0.13194100    2.65479300
 C                  1.88263500   -0.59632700    3.48706400
 C                  0.50751300   -0.55687600    3.25963000
 C                 -0.01280800    0.21097400    2.21660700
 H                 -1.08573400    0.21384900    2.06370300
 H                 -0.16700100   -1.13041000    3.88809000
 H                  2.28715600   -1.19716500    4.29603700
 H                  3.80783700    0.09853500    2.80689400
 H                  2.88995200    1.43551100    0.96256800
 H                  0.76820200    1.49327700   -0.69423600

H C O 0
6-31G*
****
I 0
SDD
****

I 0
SDD


