%nprocshared=24
%mem=125GB
%chk=T4Anti_Si_Up_Trans_4.chk
#p opt=(calcfc,ts,noeigentest,maxcyc=500,z-matrix) 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              
 C                  1            B1
 N                  1            B2    2            A1
 N                  2            B3    1            A2    3            D1    0
 N                  1            B4    3            A3    4            D2    0
 C                  2            B5    1            A4    3            D3    0
 H                  6            B6    2            A5    1            D4    0
 H                  6            B7    2            A6    1            D5    0
 O                  6            B8    2            A7    1            D6    0
 C                  9            B9    6            A8    2            D7    0
 C                  5           B10    1            A9    3            D8    0
 H                 10           B11    9           A10    6            D9    0
 H                 11           B12    5           A11    1           D10    0
 C                 11           B13    5           A12    1           D11    0
 C                 10           B14    9           A13    6           D12    0
 C                 14           B15   11           A14    5           D13    0
 C                 16           B16   14           A15   11           D14    0
 C                 14           B17   11           A16    5           D15    0
 C                 18           B18   14           A17   11           D16    0
 C                 17           B19   16           A18   14           D17    0
 H                 19           B20   18           A19   14           D18    0
 H                 20           B21   17           A20   16           D19    0
 H                 18           B22   14           A21   11           D20    0
 H                 17           B23   16           A22   14           D21    0
 C                  3           B24    1           A23    5           D22    0
 C                 25           B25    3           A24    1           D23    0
 C                 25           B26    3           A25    1           D24    0
 C                 26           B27   25           A26    3           D25    0
 C                 27           B28   25           A27    3           D26    0
 C                 28           B29   26           A28   25           D27    0
 H                 28           B30   26           A29   25           D28    0
 H                 29           B31   27           A30   25           D29    0
 H                 15           B32   10           A31    9           D30    0
 H                 15           B33   10           A32    9           D31    0
 C                 27           B34   25           A33    3           D32    0
 H                 35           B35   27           A34   25           D33    0
 H                 35           B36   27           A35   25           D34    0
 H                 35           B37   27           A36   25           D35    0
 C                 26           B38   25           A37    3           D36    0
 H                 39           B39   26           A38   25           D37    0
 H                 39           B40   26           A39   25           D38    0
 H                 39           B41   26           A40   25           D39    0
 C                 30           B42   28           A41   26           D40    0
 H                 43           B43   30           A42   28           D41    0
 H                 43           B44   30           A43   28           D42    0
 H                 43           B45   30           A44   28           D43    0
 C                  1           B46    3           A45    4           D44    0
 C                 47           B47    1           A46    3           D45    0
 O                 47           B48    1           A47    3           D46    0
 C                 48           B49   47           A48    1           D47    0
 H                 50           B50   48           A49   47           D48    0
 H                 50           B51   48           A50   47           D49    0
 H                 48           B52   47           A51    1           D50    0
 C                 48           B53   47           A52    1           D51    0
 C                 54           B54   48           A53   47           D52    0
 C                 54           B55   48           A54   47           D53    0
 H                 54           B56   48           A55   47           D54    0
 C                 55           B57   54           A56   48           D55    0
 C                 56           B58   54           A57   48           D56    0
 C                 58           B59   55           A58   54           D57    0
 C                 59           B60   56           A59   54           D58    0
 H                 60           B61   58           A60   55           D59    0
 H                 61           B62   59           A61   56           D60    0
 O                 56           B63   54           A62   48           D61    0
 H                 55           B64   54           A63   48           D62    0
 H                 58           B65   55           A64   54           D63    0
 C                 59           B66   56           A65   54           D64    0
 C                 67           B67   59           A66   56           D65    0
 C                 67           B68   59           A67   56           D66    0
 C                 68           B69   67           A68   59           D67    0
 H                 68           B70   67           A69   59           D68    0
 C                 69           B71   67           A70   59           D69    0
 H                 69           B72   67           A71   59           D70    0
 C                 70           B73   68           A72   67           D71    0
 H                 70           B74   68           A73   67           D72    0
 H                 72           B75   69           A74   67           D73    0
 H                 74           B76   70           A75   68           D74    0
 C                 50           B77   48           A76   47           D75    0
 H                 78           B78   50           A77   48           D76    0
 H                 78           B79   50           A78   48           D77    0
 H                 78           B80   50           A79   48           D78    0

   B1             2.18729284
   B2             1.33508865
   B3             1.29750415
   B4             1.34481394
   B5             1.49398962
   B6             1.09550384
   B7             1.10472744
   B8             1.40729953
   B9             1.41309718
   B10            1.46366782
   B11            1.09523382
   B12            1.09791395
   B13            1.51605140
   B14            1.54410589
   B15            1.39540541
   B16            1.39525042
   B17            1.39532959
   B18            1.39445187
   B19            1.39460170
   B20            1.09117805
   B21            1.09137846
   B22            1.09188277
   B23            1.09159019
   B24            1.43560846
   B25            1.39863686
   B26            1.40256877
   B27            1.39773713
   B28            1.39352743
   B29            1.39796945
   B30            1.09268309
   B31            1.09168496
   B32            1.10020211
   B33            1.10036003
   B34            1.50428355
   B35            1.09969066
   B36            1.10208807
   B37            1.09595420
   B38            1.50555735
   B39            1.09819688
   B40            1.10104084
   B41            1.09768630
   B42            1.50463531
   B43            1.09867921
   B44            1.09732912
   B45            1.10155874
   B46            1.51856748
   B47            1.40118861
   B48            1.24713813
   B49            1.50380816
   B50            1.10173069
   B51            1.09964503
   B52            1.09604442
   B53            2.16908307
   B54            1.40562002
   B55            1.49140211
   B56            1.09521078
   B57            1.39835604
   B58            1.46625365
   B59            1.38704701
   B60            1.38199023
   B61            1.09227705
   B62            1.09482802
   B63            1.22837948
   B64            1.09288509
   B65            1.09397482
   B66            1.48911272
   B67            1.40391090
   B68            1.40390286
   B69            1.39478174
   B70            1.08829406
   B71            1.39262960
   B72            1.09118020
   B73            1.39467880
   B74            1.09191770
   B75            1.09192962
   B76            1.09158171
   B77            1.52985511
   B78            1.10276138
   B79            1.10026628
   B80            1.10062662
   A1            68.30419686
   A2            75.00588865
   A3           104.90831787
   A4           151.74333333
   A5           110.22034485
   A6           111.11413694
   A7           105.57992721
   A8           115.56735296
   A9           130.64833884
   A10          104.48355836
   A11          107.05892919
   A12          112.03200970
   A13          112.44867027
   A14          110.80752011
   A15          119.94054121
   A16          127.63875836
   A17          118.20557715
   A18          118.94300910
   A19          119.55245079
   A20          119.61650142
   A21          119.89730409
   A22          120.50516801
   A23          126.53733398
   A24          119.48970019
   A25          116.83496743
   A26          116.85353531
   A27          116.91642491
   A28          121.74360505
   A29          118.71192224
   A30          118.54637492
   A31          109.93139286
   A32          110.36470280
   A33          120.98645928
   A34          111.72230266
   A35          110.52343442
   A36          110.18788187
   A37          122.38598033
   A38          110.63851693
   A39          109.95389556
   A40          112.83472349
   A41          120.97526367
   A42          111.12996261
   A43          111.48828523
   A44          110.45251533
   A45          133.83852599
   A46          119.32987579
   A47          113.91349774
   A48          124.31259462
   A49          107.72482860
   A50          110.33189229
   A51          111.38481591
   A52          104.78711290
   A53          103.31467674
   A54          102.88372797
   A55           96.29550486
   A56          126.22091846
   A57          120.87360774
   A58          127.32785182
   A59          125.34977110
   A60          116.54047101
   A61          114.21222090
   A62          116.96767280
   A63          116.40652656
   A64          116.24938329
   A65          116.73443726
   A66          122.16842773
   A67          119.68224166
   A68          120.71036619
   A69          119.10712047
   A70          121.11904195
   A71          118.62244024
   A72          120.52119423
   A73          119.52820590
   A74          119.72186082
   A75          120.35136503
   A76          114.19024442
   A77          111.66758422
   A78          110.83372691
   A79          111.36718317
   D1            -0.56971641
   D2             1.53835028
   D3          -165.88969404
   D4           147.56949482
   D5           -91.83673889
   D6            30.36978600
   D7           -67.49164114
   D8           176.65881428
   D9           160.52437912
   D10           24.96795942
   D11          -97.92706640
   D12          -78.14091059
   D13         -126.85664334
   D14          179.97722030
   D15           53.73543705
   D16         -179.84271225
   D17           -0.06331985
   D18         -179.99623528
   D19         -179.71758455
   D20            1.53932774
   D21         -179.88216635
   D22         -169.90186000
   D23         -115.30475916
   D24           66.58555347
   D25          177.84267700
   D26         -177.75078589
   D27            1.06632251
   D28         -179.19140161
   D29          178.13011425
   D30          -12.70381173
   D31         -130.38568432
   D32            3.88994080
   D33          -68.17296711
   D34           53.17811092
   D35          173.25978377
   D36           -4.63453100
   D37          144.93393050
   D38          -96.26807738
   D39           23.19364192
   D40         -177.41370762
   D41         -140.00300742
   D42          -18.55624575
   D43          101.26444252
   D44          179.73597881
   D45           60.38540623
   D46         -122.82173264
   D47            9.67592081
   D48         -167.10267993
   D49          -52.54905021
   D50          157.65867641
   D51         -108.45484134
   D52         -164.41467152
   D53          -34.06296556
   D54           77.54701536
   D55           72.85560510
   D56          -66.23799632
   D57            6.02334249
   D58          -18.69287390
   D59         -173.18048369
   D60          177.65288091
   D61          110.03072337
   D62          -97.44889734
   D63         -171.05368244
   D64          158.72397903
   D65           49.51996571
   D66         -130.69346343
   D67          179.01480367
   D68           -1.17916880
   D69         -179.26624937
   D70            3.84196111
   D71            0.55005253
   D72         -179.46590159
   D73         -179.14786240
   D74          179.66989191
   D75           71.62982348
   D76          -63.14483204
   D77           56.41297361
   D78          176.61847190

 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 1.5 49 2.0
 48 50 1.0 53 1.0
 49
 50 51 1.0 52 1.0 78 1.0
 51
 52
 53
 54 55 1.5 56 1.0 57 1.0
 55 58 1.5 65 1.0
 56 59 1.0 64 2.0
 57
 58 60 1.5 66 1.0
 59 61 2.0 67 1.0
 60 61 1.5 62 1.0
 61 63 1.0
 62
 63
 64
 65
 66
 67 68 1.5 69 1.5
 68 70 1.5 71 1.0
 69 72 1.5 73 1.0
 70 74 1.5 75 1.0
 71
 72 74 1.5 76 1.0
 73
 74 77 1.0
 75
 76
 77
 78 79 1.0 80 1.0 81 1.0
 79
 80
 81

alpha=1.2


