%nprocshared=24
%mem=123GB
%chk=I3_Si_Up_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                 -0.36573100   -0.64749800    0.17687200
 C                 -1.99896900   -2.10133800    0.28751500
 N                  0.09049700   -1.89057600    0.34613900
 N                 -0.91542300   -2.80526400    0.40693200
 N                 -1.70160400   -0.77366300    0.14734000
 C                 -3.43533800   -2.48288700    0.12684200
 H                 -3.51750800   -3.53716100   -0.16068700
 H                 -3.99289400   -2.33096600    1.06891900
 O                 -3.93292700   -1.68886300   -0.92252500
 C                 -4.01063000   -0.30388300   -0.65302000
 C                 -2.73762500    0.25465200    0.08940700
 H                 -4.08897300    0.16239700   -1.64083100
 H                 -2.29975200    1.11067200   -0.44335200
 C                 -3.23019500    0.62123300    1.47240800
 C                 -5.21278600    0.06035200    0.24836700
 C                 -4.61623900    0.49558200    1.56100500
 C                 -5.26069600    0.77564700    2.76638500
 C                 -2.45470600    1.02608300    2.55865000
 C                 -3.10622000    1.29873400    3.76142600
 C                 -4.49610900    1.17265200    3.86336800
 H                 -2.52692100    1.61425400    4.63073400
 H                 -4.98936000    1.38732800    4.81306500
 H                 -1.36966400    1.13051900    2.44408000
 H                 -6.34485100    0.68022500    2.85168000
 C                  1.46128100   -2.30463900    0.48625000
 C                  2.10260700   -2.93081900   -0.58587100
 C                  2.07919700   -2.09753000    1.73233400
 C                  3.43616700   -3.31391100   -0.39964200
 C                  3.40784200   -2.49392900    1.86033600
 C                  4.10525100   -3.09475500    0.80335600
 H                  3.95884800   -3.80240200   -1.22578800
 H                  3.91225300   -2.34003200    2.81758100
 H                 -5.88940400   -0.80245100    0.34141400
 H                 -5.79717200    0.87473500   -0.20564700
 C                  1.32097900   -1.48587700    2.87648300
 H                  1.06333700   -0.43963400    2.64316100
 H                  0.38135700   -2.03123000    3.05866300
 H                  1.91909000   -1.51645400    3.79581300
 C                  1.42561000   -3.21593800   -1.90011800
 H                  1.58116600   -4.26717700   -2.18057200
 H                  0.34444500   -3.03732900   -1.86846600
 H                  1.85809800   -2.60060600   -2.70281100
 C                  5.54080100   -3.50679700    0.98435300
 H                  5.63838000   -4.24167900    1.79713200
 H                  5.95006100   -3.95210600    0.06850800
 H                  6.16467100   -2.64174500    1.25341300
 C                  0.38288300    0.68869600    0.18025200
 C                  0.71893500    1.15897400   -1.05929800
 O                  0.51423800    1.17868300    1.33723100
 C                  0.44483700    0.43004900   -2.35067400
 H                  1.18392500    0.74903100   -3.10454200
 H                  0.60498100   -0.65424300   -2.24089500
 C                 -0.94052000    0.62557200   -2.94870700
 C                 -1.55326500    1.88546400   -2.95595200
 C                 -1.63849500   -0.44859900   -3.51018100
 C                 -2.81379600    2.07523600   -3.51700600
 H                 -1.03766600    2.73304800   -2.49858200
 C                 -2.90286700   -0.28090900   -4.07781800
 H                 -1.18773800   -1.44452100   -3.50820900
 C                 -3.47961000    0.98493400   -4.07850800
 H                 -3.27894500    3.06156100   -3.51441300
 H                 -3.43659500   -1.13222400   -4.50118700
 H                  1.20119500    2.13872300   -1.09260700
 Br                -5.21165300    1.22564800   -4.81433600

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

alpha=1.2


