%nprocshared=24
%mem=123GB
%chk=EpiI2_CisDD_to_TransDU_1.chk
#p opt=maxcyc=500 freq=noraman scrf=(smd,solvent=dichloroethane,read) nosymm pop=full geom=connectivity
def2svp empiricaldispersion=gd3 iop(6/80=1) rm062x scf=(maxcycle=250,xqc)

Title Card Required

0 1
 C                  0.21960200    0.36191700   -0.74989600
 C                  1.28385500   -0.46277400   -0.93859500
 O                 -0.15742000    1.53865200   -0.92966000
 C                  2.59381100   -0.06613200   -1.50963200
 H                  3.10575000   -0.95613400   -1.93127100
 H                  2.43864700    0.62110100   -2.37164600
 C                  3.46727300    0.61745400   -0.48300400
 C                  4.64725800    0.01301800   -0.02869700
 C                  3.09957600    1.87942300    0.01715100
 C                  5.45390300    0.66543700    0.91052600
 H                  4.93770000   -0.96620500   -0.40128000
 C                  3.90682300    2.52516000    0.95270900
 H                  2.17007900    2.33793300   -0.32564700
 C                  5.08872200    1.92097700    1.40152300
 H                  6.36855000    0.19003500    1.25840800
 H                  3.61924400    3.50111300    1.33734900
 H                  5.71659400    2.42791100    2.12864300
 H                 -1.58860500    1.76136100   -0.38156000
 C                  0.99447700   -1.84129000   -0.40040100
 C                 -0.43233600   -1.69348200    0.11465200
 C                  1.05589600   -2.95242600   -1.41004000
 H                  1.69059300   -2.07946300    0.44665000
 C                 -1.20289000   -2.63745100    0.69309300
 C                  0.63319800   -4.20461200   -1.17809400
 C                 -0.83814300   -4.02911900    0.85069000
 C                 -0.00520600   -4.70634800    0.03474600
 H                 -1.31154300   -4.53925300    1.69616000
 H                  0.20415500   -5.75986900    0.24586200
 Cl                -2.76535600   -2.19131000    1.30201800
 O                 -0.88782500   -0.41275000   -0.07672100
 H                  1.48996800   -2.67150400   -2.37059000
 H                  0.75387800   -4.96521000   -1.95745600
 N                 -2.60159600    2.18549100   -0.03489800
 C                 -2.88785400    3.43618800   -0.85884200
 H                 -3.24249300    3.11527900   -1.86866700
 H                 -3.71091200    4.02236300   -0.39891000
 C                 -2.47979300    2.52854300    1.44608600
 H                 -1.81732500    3.42159000    1.54124200
 H                 -3.47303800    2.80983400    1.85419000
 C                 -3.66762100    1.11977800   -0.26667700
 H                 -4.68063100    1.55880400   -0.16539600
 H                 -3.55665400    0.33894000    0.53227300
 C                 -1.62802300    4.27182500   -1.00783900
 H                 -0.76078900    3.65095900   -1.31818600
 H                 -1.75242000    5.04183800   -1.77977300
 H                 -1.33510000    4.77841200   -0.08140100
 C                 -3.47222600    0.45675500   -1.61979700
 H                 -4.21818200   -0.33496000   -1.77655800
 H                 -3.53958000    1.15132500   -2.46407600
 H                 -2.48257500   -0.04196400   -1.67646800
 C                 -1.88172900    1.36371900    2.21695100
 H                 -0.95614600    0.97705200    1.74439700
 H                 -1.61927500    1.65716600    3.24033400
 H                 -2.55714700    0.49878900    2.28474600

 1 2 2.0 3 2.0 30 1.0
 2 4 1.0 19 1.0
 3
 4 5 1.0 6 1.0 7 1.0
 5
 6
 7 8 1.5 9 1.5
 8 10 1.5 11 1.0
 9 12 1.5 13 1.0
 10 14 1.5 15 1.0
 11
 12 14 1.5 16 1.0
 13
 14 17 1.0
 15
 16
 17
 18
 19 20 1.0 21 1.0 22 1.0
 20 23 2.0 30 1.0
 21 24 2.0 31 1.0
 22
 23 25 1.5 29 1.0
 24 26 1.0 32 1.0
 25 26 2.0 27 1.0
 26 28 1.0
 27
 28
 29
 30
 31
 32
 33 34 1.0 37 1.0 40 1.0
 34 35 1.0 36 1.0 43 1.0
 35
 36
 37 38 1.0 39 1.0 51 1.0
 38
 39
 40 41 1.0 42 1.0 47 1.0
 41
 42
 43 44 1.0 45 1.0 46 1.0
 44
 45
 46
 47 48 1.0 49 1.0 50 1.0
 48
 49
 50
 51 52 1.0 53 1.0 54 1.0
 52
 53
 54

alpha=1.2


