%nprocshared=24
%mem=123GB
%chk=I1_Cis_3.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                 -0.00761600    0.30727800   -0.06265000
 C                  0.15954600    0.52122400    2.11427600
 N                  1.25122900    0.53609400    0.32568500
 N                  1.36999000    0.66161600    1.67425400
 N                 -0.71508000    0.29558500    1.08395800
 C                 -0.38867200    0.41574800    3.49932100
 H                  0.41969900    0.22412700    4.21360800
 H                 -0.90577300    1.34701300    3.79355000
 O                 -1.25401500   -0.69392600    3.49074600
 C                 -2.41669500   -0.54878000    2.70276000
 C                 -2.15227800    0.16556900    1.32075600
 H                 -2.75733800   -1.57448900    2.52505900
 H                 -2.56557800   -0.42674900    0.49388900
 C                 -2.83788100    1.51039200    1.44796600
 C                 -3.50458200    0.29526100    3.40475000
 C                 -3.58806300    1.57880100    2.62198500
 C                 -4.30048600    2.74003900    2.92266700
 C                 -2.77610000    2.57274000    0.54537200
 C                 -3.48943800    3.73088000    0.85758500
 C                 -4.24227000    3.81398600    2.03435900
 H                 -3.46179300    4.58234400    0.17534800
 H                 -4.79155700    4.72979600    2.26030400
 H                 -2.17801900    2.46826700   -0.37245200
 H                 -4.89026700    2.80872000    3.83875400
 C                  2.39455000    0.63801400   -0.53771900
 C                  3.11214000   -0.53027800   -0.81786200
 C                  2.67447100    1.87401300   -1.12485200
 C                  4.11420100   -0.44813800   -1.78335900
 C                  3.68540000    1.90239900   -2.08890000
 C                  4.38956800    0.75063600   -2.45063000
 H                  4.67468800   -1.34955600   -2.04383500
 H                  3.90826500    2.84771500   -2.58999800
 H                 -3.23655200    0.44581200    4.46133100
 H                 -4.46869800   -0.23508200    3.39252500
 C                  1.85359500    3.08414000   -0.78421200
 H                  0.81455000    2.90698000   -1.11809700
 H                  1.84006000    3.25976000    0.30266200
 H                  2.25527400    3.97939000   -1.27575000
 C                  2.77436500   -1.82526300   -0.13171900
 H                  2.76350500   -1.70508600    0.96162000
 H                  1.77672600   -2.18692400   -0.42851900
 H                  3.50343400   -2.60381200   -0.38840700
 C                  5.37285600    0.77343800   -3.58676600
 H                  5.77197500    1.78203800   -3.75847500
 H                  6.21276100    0.08758000   -3.40929200
 H                  4.86730700    0.44797200   -4.51192200
 C                 -0.60204100    0.40556400   -1.49069300
 C                  0.32794700   -0.28802000   -2.48396600
 O                 -0.85410900    1.68720500   -1.70195900
 C                  0.80413100    0.38138500   -3.53755400
 C                  1.71739600   -0.12077700   -4.57786000
 C                  2.30265600   -1.39830900   -4.53085900
 C                  2.04476900    0.71310900   -5.65795000
 C                  3.16703100   -1.82601800   -5.53379300
 H                  2.08622000   -2.06103300   -3.69043700
 C                  2.90856500    0.28571900   -6.66643200
 H                  1.60721300    1.71309800   -5.70346800
 C                  3.47199000   -0.98795400   -6.61035100
 H                  3.61037600   -2.82193300   -5.47629400
 H                  3.14310400    0.95249100   -7.49820300
 H                  0.56116900   -1.34497000   -2.30879600
 H                  0.48295400    1.42623500   -3.61065700
 H                 -1.50703300   -0.26679200   -1.43369200
 Br                 4.65797595   -1.58057152   -7.98524802

 1 3 1.5 5 1.5 47 1.0
 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 1.0 49 1.5 63 1.0
 48 50 2.0 61 1.0
 49
 50 51 1.0 62 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


