%nprocshared=24
%mem=123GB
%chk=I3_Si_Up_Trans_4.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                 -0.65215700   -0.59594100    0.15360500
 C                 -2.19457000   -2.12338600    0.44735100
 N                 -0.12559000   -1.82145200    0.26991000
 N                 -1.07668900   -2.78069600    0.43383800
 N                 -1.97592100   -0.78329000    0.29502000
 C                 -3.61990500   -2.57068500    0.43261000
 H                 -3.67884700   -3.63290900    0.16975400
 H                 -4.09418600   -2.42486600    1.41955600
 O                 -4.24707100   -1.82467600   -0.58340600
 C                 -4.33881200   -0.42737300   -0.37407300
 C                 -3.07535500    0.17709900    0.34515000
 H                 -4.43665500   -0.00391900   -1.37981700
 H                 -2.72207900    1.09849400   -0.13521900
 C                 -3.54392900    0.43195900    1.76472500
 C                 -5.53436400   -0.05370400    0.52562100
 C                 -4.92779300    0.28283100    1.86271800
 C                 -5.56298200    0.46516700    3.09105500
 C                 -2.76528700    0.77555100    2.86920800
 C                 -3.40585800    0.94824600    4.09651000
 C                 -4.79155800    0.79201400    4.20651000
 H                 -2.82096000    1.21319500    4.97897400
 H                 -5.27545400    0.92961800    5.17523200
 H                 -1.69143500    0.92541700    2.73523100
 H                 -6.64480500    0.34832000    3.17935300
 C                  1.26556500   -2.17474200    0.30803100
 C                  1.77127800   -3.00481000   -0.69709800
 C                  2.04672700   -1.69364500    1.37104200
 C                  3.13310100   -3.31968000   -0.64511200
 C                  3.39899600   -2.03221200    1.36879000
 C                  3.96108400   -2.83494300    0.36797700
 H                  3.55365100   -3.95978200   -1.42439100
 H                  4.03246800   -1.67005500    2.18240500
 H                 -6.25213400   -0.88603700    0.56205600
 H                 -6.06681200    0.81655100    0.11178100
 C                  1.44452000   -0.88580500    2.48898500
 H                  1.11279800    0.11102600    2.16019600
 H                  0.56202200   -1.39745600    2.90541500
 H                  2.17373300   -0.75750900    3.29862400
 C                  0.89420700   -3.56587300   -1.78295500
 H                  0.37530000   -4.47097600   -1.43272100
 H                  0.11549600   -2.85808800   -2.09953800
 H                  1.49507900   -3.83650700   -2.66065800
 C                  5.42778000   -3.16859800    0.40398000
 H                  5.69122300   -3.68279000    1.34012800
 H                  5.71321400   -3.81654000   -0.43463000
 H                  6.03771100   -2.25448800    0.35369700
 C                 -0.00714600    0.77787200    0.09920800
 C                  0.91066500    1.02288100   -0.88368900
 O                 -0.44962600    1.52547400    1.02651800
 C                  1.34051300    0.12354000   -2.00529200
 H                  2.38112500   -0.22544900   -1.85975900
 H                  0.72573800   -0.78904600   -2.02385700
 H                  1.34883000    2.02665600   -0.85178500
 C                  1.24231000    0.80199100   -3.37250300
 H                  0.20292600    1.09012100   -3.59129100
 H                  1.85153700    1.71848700   -3.40036100
 H                  1.59384000    0.14181900   -4.17985300

 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 53 1.0
 49
 50 51 1.0 52 1.0 54 1.0
 51
 52
 53
 54 55 1.0 56 1.0 57 1.0
 55
 56
 57

alpha=1.2


