%nprocshared=24
%mem=123GB
%chk=T4Syn_Si_Up_Cis_2.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                 29           B29   27           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   29           A41   27           D40    0
 H                 43           B43   30           A42   29           D41    0
 H                 43           B44   30           A43   29           D42    0
 H                 43           B45   30           A44   29           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
 C                 50           B52   48           A51   47           D50    0
 C                 53           B53   50           A52   48           D51    0
 C                 53           B54   50           A53   48           D52    0
 C                 54           B55   53           A54   50           D53    0
 H                 54           B56   53           A55   50           D54    0
 C                 55           B57   53           A56   50           D55    0
 H                 55           B58   53           A57   50           D56    0
 C                 58           B59   55           A58   53           D57    0
 H                 56           B60   54           A59   53           D58    0
 H                 58           B61   55           A60   53           D59    0
 H                 60           B62   58           A61   55           D60    0
 H                 48           B63   47           A62    1           D61    0
 C                 48           B64   47           A63    1           D62    0
 C                 65           B65   48           A64   47           D63    0
 C                 65           B66   48           A65   47           D64    0
 H                 65           B67   48           A66   47           D65    0
 C                 66           B68   65           A67   48           D66    0
 C                 67           B69   65           A68   48           D67    0
 C                 69           B70   66           A69   65           D68    0
 C                 70           B71   67           A70   65           D69    0
 H                 71           B72   69           A71   66           D70    0
 H                 72           B73   70           A72   67           D71    0
 O                 67           B74   65           A73   48           D72    0
 H                 66           B75   65           A74   48           D73    0
 H                 69           B76   66           A75   65           D74    0
 H                 70           B77   67           A76   65           D75    0

   B1             2.19256170
   B2             1.34346323
   B3             1.29609315
   B4             1.35221660
   B5             1.49346010
   B6             1.09597661
   B7             1.10319909
   B8             1.40925717
   B9             1.41971494
   B10            1.46470250
   B11            1.09739526
   B12            1.09546642
   B13            1.51705056
   B14            1.53675922
   B15            1.39772988
   B16            1.39249160
   B17            1.39170003
   B18            1.39769780
   B19            1.39664696
   B20            1.09136784
   B21            1.09155387
   B22            1.09427713
   B23            1.09173933
   B24            1.43700032
   B25            1.40142937
   B26            1.39814388
   B27            1.39494677
   B28            1.39778152
   B29            1.39808280
   B30            1.09289577
   B31            1.09257195
   B32            1.09853279
   B33            1.10206651
   B34            1.50317558
   B35            1.10189687
   B36            1.10143080
   B37            1.09744337
   B38            1.50333566
   B39            1.10430484
   B40            1.09717758
   B41            1.10000822
   B42            1.50447164
   B43            1.09857965
   B44            1.09782363
   B45            1.10115251
   B46            1.50466418
   B47            1.41312383
   B48            1.24630718
   B49            1.50752211
   B50            1.09955944
   B51            1.09973586
   B52            1.51251387
   B53            1.40228331
   B54            1.39972938
   B55            1.39387883
   B56            1.09240606
   B57            1.39551378
   B58            1.09341615
   B59            1.39460507
   B60            1.09187712
   B61            1.09175730
   B62            1.09140236
   B63            1.08764588
   B64            2.19026957
   B65            1.40791660
   B66            1.47633530
   B67            1.09191878
   B68            1.39546706
   B69            1.43800575
   B70            1.39181671
   B71            1.38289963
   B72            1.09208492
   B73            1.09433460
   B74            1.24402482
   B75            1.09409781
   B76            1.09403946
   B77            1.09262101
   A1            67.92385024
   A2            75.16984458
   A3           104.43369079
   A4           152.48645613
   A5           109.56105824
   A6           111.12079009
   A7           106.63675485
   A8           118.14340941
   A9           133.68857322
   A10          105.33863326
   A11          106.89601401
   A12          113.85166654
   A13          111.42414415
   A14          109.72778488
   A15          120.04567145
   A16          128.61183977
   A17          117.97837005
   A18          118.84689618
   A19          119.54174859
   A20          119.63599837
   A21          120.42592773
   A22          120.56945185
   A23          128.97444280
   A24          118.23410116
   A25          118.28427560
   A26          117.10346875
   A27          117.04528840
   A28          121.77218644
   A29          118.79261962
   A30          118.74801759
   A31          110.43186655
   A32          110.03876785
   A33          120.79307653
   A34          111.32785363
   A35          110.24560428
   A36          110.58704034
   A37          121.27166559
   A38          110.71474117
   A39          110.62667693
   A40          111.52345789
   A41          120.82374249
   A42          111.19606894
   A43          111.38655555
   A44          110.55908110
   A45          131.35771620
   A46          120.19719234
   A47          115.31766046
   A48          116.24728560
   A49          108.87222401
   A50          110.04452107
   A51          108.99461891
   A52          120.44918881
   A53          120.76731082
   A54          120.67384784
   A55          118.64325517
   A56          120.85909134
   A57          119.31650378
   A58          120.11024569
   A59          119.77134408
   A60          119.87728567
   A61          120.26759474
   A62          118.91863679
   A63          100.89295319
   A64          108.48483410
   A65           98.42898317
   A66           89.01446543
   A67          129.84785928
   A68          122.73880465
   A69          128.80800865
   A70          130.33950022
   A71          116.69908243
   A72          114.54896876
   A73          116.67835362
   A74          114.79550717
   A75          115.30695449
   A76          112.55304986
   D1             0.01525800
   D2            -0.11658203
   D3          -163.80792444
   D4           151.18263735
   D5           -88.63781095
   D6            34.59047212
   D7           -58.69854206
   D8          -175.75562528
   D9           142.94398389
   D10           12.28153481
   D11         -111.26342169
   D12          -94.97556347
   D13         -137.37655638
   D14         -179.15543805
   D15           43.43637900
   D16          179.30329378
   D17           -0.30762114
   D18          179.53936290
   D19         -179.46918349
   D20           -0.92061803
   D21         -179.61746308
   D22          176.00816291
   D23          -79.14680604
   D24          101.45304066
   D25          178.24878677
   D26         -178.23553943
   D27           -0.78977256
   D28         -179.01567284
   D29          179.14963610
   D30          -28.46251220
   D31         -147.26270424
   D32            2.01720945
   D33          -51.40290545
   D34           67.77682176
   D35         -172.68250460
   D36            1.36586677
   D37           74.50265262
   D38         -166.32316914
   D39          -45.76359071
   D40         -179.25905027
   D41         -143.88222397
   D42          -22.65726661
   D43           96.98844439
   D44         -174.73442677
   D45           -7.58232882
   D46          176.13652513
   D47          157.02180514
   D48           40.92623036
   D49          159.17026396
   D50          -80.15567188
   D51           83.95126264
   D52          -90.54177270
   D53         -174.35914370
   D54            4.18157595
   D55          174.27689695
   D56           -5.17087187
   D57            0.09732014
   D58          179.85632580
   D59         -179.93763277
   D60         -179.97467704
   D61           12.58722225
   D62          -92.69802279
   D63         -141.72008034
   D64           -8.49820325
   D65          102.21815338
   D66           93.14326606
   D67          -94.46725020
   D68            5.09434674
   D69          -12.06589295
   D70         -177.83922409
   D71          179.93966325
   D72           79.11890500
   D73          -82.67410136
   D74         -175.35075492
   D75          169.95020268

 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 64 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 1.5 67 1.0 68 1.0
 66 69 1.5 76 1.0
 67 70 1.5 75 2.0
 68
 69 71 1.5 77 1.0
 70 72 2.0 78 1.0
 71 72 1.5 73 1.0
 72 74 1.0
 73
 74
 75
 76
 77
 78

alpha=1.2


