%nprocshared=24
%mem=123GB
%chk=I2_Cis_3.chk
#p opt 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                  0.01313000    0.02002100    0.01075600
 C                  0.00577500   -0.00262900    2.23657900
 N                  1.28300000    0.00183400    0.55907400
 N                  1.25426000   -0.03658900    1.93499900
 N                 -0.80782900    0.02377000    1.12977600
 C                 -0.65687300   -0.06484400    3.57209300
 H                  0.02854000   -0.49232900    4.31265300
 H                 -0.94794800    0.94699500    3.91174000
 O                 -1.77089900   -0.91176900    3.44436800
 C                 -2.78456600   -0.40673200    2.60536900
 C                 -2.25026600    0.20307900    1.25113600
 H                 -3.41067600   -1.27629300    2.37810100
 H                 -2.71798800   -0.29772600    0.39879200
 C                 -2.64296200    1.66497000    1.30937200
 C                 -3.61537900    0.71084600    3.28248500
 C                 -3.38787600    1.94760000    2.45460000
 C                 -3.82406600    3.25024700    2.70146100
 C                 -2.32521500    2.66438100    0.38862200
 C                 -2.75745100    3.96575900    0.64176200
 C                 -3.50054600    4.25589400    1.79127500
 H                 -2.51862200    4.76289700   -0.06404900
 H                 -3.83168100    5.27926900    1.97607000
 H                 -1.76639800    2.42014200   -0.51668800
 H                 -4.40647600    3.47986700    3.59596200
 C                  2.52362700    0.19311900   -0.11157900
 C                  3.38725900   -0.90014600   -0.25605400
 C                  2.83050700    1.46104500   -0.63126000
 C                  4.57236200   -0.71019200   -0.97278300
 C                  4.01750500    1.60014700   -1.35145900
 C                  4.89564100    0.52635700   -1.53952900
 H                  5.25435900   -1.55453600   -1.10002100
 H                  4.26707600    2.57658700   -1.77490500
 H                 -3.29992500    0.83268100    4.33022200
 H                 -4.68156000    0.44066700    3.30437800
 C                  1.88534400    2.61464900   -0.44621500
 H                  1.01655900    2.51678300   -1.11739900
 H                  1.49989700    2.65152400    0.58330100
 H                  2.38287900    3.56707900   -0.66851700
 C                  3.01537600   -2.23705000    0.32237000
 H                  2.84365800   -2.16194900    1.40595900
 H                  2.08074400   -2.60965000   -0.12524200
 H                  3.80376500   -2.97768400    0.13925500
 C                  6.14798700    0.70521100   -2.35509000
 H                  6.69257700    1.61140500   -2.05389500
 H                  6.82198100   -0.15497100   -2.25130400
 H                  5.90073400    0.81489700   -3.42254300
 C                 -0.36262400    0.05873000   -1.31998000
 C                  0.53022100   -0.07132300   -2.42881500
 O                 -1.70017300    0.31977300   -1.58441900
 C                  0.18799400    0.13207100   -3.72807500
 C                  1.08908900   -0.02816200   -4.86934700
 C                  2.44663900   -0.38990400   -4.74072100
 C                  0.60097500    0.19712900   -6.17056500
 C                  3.26419400   -0.52050700   -5.85818900
 H                  2.87474500   -0.56801100   -3.75143700
 C                  1.42107100    0.06682200   -7.28864400
 H                 -0.44652900    0.48099000   -6.29761000
 C                  2.76023800   -0.29395700   -7.14179200
 H                  4.31075300   -0.80280500   -5.72592900
 H                  1.00969500    0.24898700   -8.28347700
 H                  1.54764700   -0.38950100   -2.20183900
 H                 -2.03110300   -0.37461200   -2.17261300
 H                 -0.82717600    0.46508200   -3.96168400
 Br                 3.88999208   -0.47487038   -8.67117948

 1 3 1.0 5 1.0 47 2.0
 2 4 2.0 5 1.5 6 1.0
 3 4 1.0 25 1.0
 4
 5 11 1.0
 6 7 1.0 8 1.0 9 1.0
 7
 8
 9 10 1.0
 10 11 1.0 12 1.0 15 1.0
 11 13 1.0 14 1.0
 12
 13
 14 16 1.5 18 1.5
 15 16 1.0 33 1.0 34 1.0
 16 17 1.5
 17 20 1.5 24 1.0
 18 19 1.5 23 1.0
 19 20 1.5 21 1.0
 20 22 1.0
 21
 22
 23
 24
 25 26 1.5 27 1.5
 26 28 1.5 39 1.0
 27 29 1.5 35 1.0
 28 30 1.5 31 1.0
 29 30 1.5 32 1.0
 30 43 1.0
 31
 32
 33
 34
 35 36 1.0 37 1.0 38 1.0
 36
 37
 38
 39 40 1.0 41 1.0 42 1.0
 40
 41
 42
 43 44 1.0 45 1.0 46 1.0
 44
 45
 46
 47 48 1.5 49 1.0
 48 50 2.0 61 1.0
 49 62 1.0
 50 51 1.0 63 1.0
 51 52 1.5 53 1.5
 52 54 1.5 55 1.0
 53 56 1.5 57 1.0
 54 58 1.5 59 1.0
 55
 56 58 1.5 60 1.0
 57
 58 64 1.0
 59
 60
 61
 62
 63
 64

alpha=1.2


