%nprocshared=24
%mem=123GB
%chk=I6Syn_Si_Up_Trans_1VDW_complex.chk
#p opt freq=noraman scrf=(solvent=dichloroethane,read,smd) def2svp nosymm geom=connectivity empiricaldispersion=gd3 iop(6/80=1) pop=full rm062x scf=(maxcycle=250,xqc)

Title Card Required

0 1
 C                  0.08448800   -0.01026700    0.75801300
 C                  0.06174200   -0.19530800    2.99321600
 N                  1.30561100   -0.09554600    1.32325800
 N                  1.31942800   -0.21904800    2.68816600
 N                 -0.70671800   -0.07363900    1.86592700
 C                 -0.62973700   -0.36324600    4.30644000
 H                  0.00322200   -0.92634100    5.00224000
 H                 -0.84777600    0.61999900    4.76277800
 O                 -1.80459000   -1.10317200    4.07702600
 C                 -2.75322500   -0.45163400    3.26013900
 C                 -2.15363400    0.10721000    1.91655700
 H                 -3.48108300   -1.23034400    3.01143800
 H                 -2.56725300   -0.41300600    1.04133400
 C                 -2.53088300    1.57242200    1.91691600
 C                 -3.45594500    0.73536800    3.96603900
 C                 -3.25058400    1.92007200    3.06031800
 C                 -3.67632900    3.23711500    3.24377400
 C                 -2.21629500    2.51960400    0.94214500
 C                 -2.63892400    3.83462000    1.13150400
 C                 -3.36481400    4.18963300    2.27452900
 H                 -2.40607200    4.59251200    0.38168100
 H                 -3.68988300    5.22300300    2.40809600
 H                 -1.66211800    2.22041900    0.04968900
 H                 -4.24082200    3.51868400    4.13503400
 C                  2.53730300   -0.02705200    0.60189400
 C                  3.40670600   -1.12495600    0.62979600
 C                  2.82709300    1.13985400   -0.12207700
 C                  4.59196100   -1.03783300   -0.10470100
 C                  4.01099900    1.16720500   -0.86199500
 C                  4.90326900    0.09143400   -0.86673100
 H                  5.27935300   -1.88805400   -0.09877300
 H                  4.24313500    2.06050500   -1.44849900
 H                 -3.02965200    0.89700600    4.96852400
 H                 -4.52418400    0.52063900    4.11447000
 C                  1.90229900    2.32618800   -0.10136600
 H                  0.99611900    2.13435100   -0.69420000
 H                  1.57444800    2.55142600    0.92485900
 H                  2.40334400    3.21115800   -0.51375800
 C                  3.05942300   -2.36700400    1.40479900
 H                  3.12479300   -2.19214400    2.48823000
 H                  2.02439800   -2.68310200    1.19979700
 H                  3.73395300   -3.19154700    1.14110100
 C                  6.14189600    0.13491600   -1.71969300
 H                  6.87180100   -0.62612100   -1.41286800
 H                  5.88599700   -0.05021000   -2.77594600
 H                  6.62649100    1.12031100   -1.67342600
 C                 -1.30765700   -0.05727800   -1.81689100
 C                 -0.77692900   -1.40360100   -2.29756900
 O                 -2.33924000    0.19764500   -1.28114200
 C                 -0.65724100   -2.47287500   -1.20715800
 H                 -0.31681600   -3.39913600   -1.70068500
 H                  0.13028100   -2.17648000   -0.50478100
 C                 -1.89845800   -2.77437400   -0.39882200
 C                 -3.18967100   -2.74546000   -0.93724300
 C                 -1.74722800   -3.13476200    0.94655100
 C                 -4.29573200   -3.07170800   -0.15330600
 H                 -3.34418800   -2.44557200   -1.97510400
 C                 -2.84895800   -3.46820600    1.73255800
 H                 -0.74675400   -3.14767200    1.38684700
 C                 -4.13074600   -3.43710900    1.18316100
 H                 -5.29538900   -3.03633700   -0.58999800
 H                 -2.70228400   -3.73061900    2.78191900
 H                 -4.99869500   -3.68852300    1.79520300
 H                 -1.51740500   -1.74014600   -3.03942500
 C                  0.53726800   -1.05397500   -3.03724200
 C                  0.57498600    0.45115500   -2.94342900
 C                  1.83147200   -1.61688200   -2.49762300
 H                  0.46427000   -1.32932800   -4.10311300
 C                  1.47400700    1.23888300   -3.56602000
 C                  3.01204700   -1.37647100   -3.09501500
 C                  2.58845800    0.74561400   -4.35031400
 C                  3.24707000   -0.42655100   -4.16766400
 H                  2.95296700    1.43257300   -5.11806700
 H                  4.10718200   -0.61448900   -4.81586100
 Cl                 1.28154100    2.97261300   -3.50132700
 O                 -0.46702000    0.94558200   -2.23164300
 H                  1.81321900   -2.27332100   -1.62683400
 H                  3.89105200   -1.91149400   -2.72537900

 1 3 1.5 5 1.5
 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 2.0 76 1.0
 48 50 1.0 64 1.0 65 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 63 1.0
 61
 62
 63
 64
 65 66 1.0 67 1.0 68 1.0
 66 69 2.0 76 1.0
 67 70 2.0 77 1.0
 68
 69 71 1.0 75 1.0
 70 72 1.0 78 1.0
 71 72 2.0 73 1.0
 72 74 1.0
 73
 74
 75
 76
 77
 78

alpha=1.2



