%nprocshared=24
%mem=123GB
%chk=I3_Si_Down_Trans_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                 -0.66476700   -0.60650400   -0.52875400
 C                 -1.82554000   -1.77289000    0.91294000
 N                  0.12337400   -1.23183300    0.35032400
 N                 -0.58683400   -1.96457700    1.24862300
 N                 -1.91563600   -0.95048800   -0.17300900
 C                 -3.08409100   -2.37529900    1.44437500
 H                 -2.85861500   -3.31515200    1.96121600
 H                 -3.56760200   -1.69340900    2.16650400
 O                 -3.90607900   -2.65689200    0.34094800
 C                 -4.33754400   -1.52697500   -0.38339900
 C                 -3.17392100   -0.55937300   -0.82012400
 H                 -4.78267800   -1.93991800   -1.29527200
 H                 -2.95801900   -0.61205000   -1.89644300
 C                 -3.63947600    0.81111400   -0.38318600
 C                 -5.37444000   -0.66581800    0.37681200
 C                 -4.86271700    0.74602000    0.28573900
 C                 -5.45241500    1.91213700    0.77572400
 C                 -2.98890900    2.02925100   -0.58506000
 C                 -3.57921500    3.19032200   -0.08869000
 C                 -4.80229900    3.13096400    0.58729900
 H                 -3.08644000    4.15278700   -0.23505600
 H                 -5.25341200    4.04869800    0.96859700
 H                 -2.03678100    2.06856800   -1.12011000
 H                 -6.40886700    1.87004400    1.30028900
 C                  1.56017600   -1.27014300    0.37004800
 C                  2.21895700   -1.95181100   -0.66259300
 C                  2.23094900   -0.67484500    1.44522400
 C                  3.61389800   -1.97859400   -0.61661200
 C                  3.62540100   -0.73373400    1.44139000
 C                  4.33143600   -1.37472700    0.42044200
 H                  4.15477900   -2.49552100   -1.41305600
 H                  4.17357900   -0.25316800    2.25585100
 H                 -5.47151800   -1.00346500    1.42045900
 H                 -6.37067200   -0.76961000   -0.07588700
 C                  1.49030500   -0.02102500    2.57896300
 H                  0.61829600    0.55457300    2.23605100
 H                  1.11046200   -0.77944300    3.28083900
 H                  2.15445200    0.65439800    3.13338000
 C                  1.45752800   -2.67507700   -1.74117400
 H                  0.77929500   -3.41993900   -1.29448600
 H                  0.83500600   -2.00583500   -2.35526200
 H                  2.15169000   -3.20842400   -2.40260800
 C                  5.83470300   -1.42236200    0.44853500
 H                  6.18737000   -2.21731700    1.12463400
 H                  6.24850100   -1.62612000   -0.54832800
 H                  6.25482300   -0.47274400    0.81000700
 C                 -0.33387500    0.11528700   -1.83591400
 C                  0.42542800    1.25237600   -1.77310300
 H                  0.63429700    1.72524700   -2.73753300
 O                 -0.85670400   -0.48924000   -2.81488200
 C                  0.90285500    1.93709200   -0.53048300
 H                  0.50135800    2.96701100   -0.48312100
 H                  0.48311500    1.44422100    0.36217700
 C                  2.40607700    2.04196100   -0.33470400
 C                  2.90651900    2.73126700    0.77877800
 C                  3.31760600    1.46234000   -1.21786800
 C                  4.27351800    2.83717300    1.01360000
 H                  2.20769400    3.19330800    1.48180500
 C                  4.69393100    1.56794100   -1.00762000
 H                  2.94413700    0.90423300   -2.07857900
 C                  5.15970700    2.25098400    0.10970600
 H                  4.64970200    3.37148500    1.88662400
 H                  5.39743800    1.10951200   -1.70418100
 Br                 7.03031300    2.39195700    0.41510100

 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 2.0 50 2.0
 48 49 1.0 51 1.0
 49
 50
 51 52 1.0 53 1.0 54 1.0
 52
 53
 54 55 1.5 56 1.5
 55 57 1.5 58 1.0
 56 59 1.5 60 1.0
 57 61 1.5 62 1.0
 58
 59 61 1.5 63 1.0
 60
 61 64 1.0
 62
 63
 64

alpha=1.2


