%nprocshared=24
%mem=127GB
%chk=T3_Theocat_m062xdef2tzvp_373tol.chk
#p opt=(ts,noeigentest,calcfc,maxcyc=400,z-matrix) scrf=(solvent=thf,read,smd) pop=(nbo,savenbos) geom=connectivity def2tzvp empiricaldispersion=gd3
int=grid=ultrafine rm062x scf=(save,xqc) nosymm

Title Card Required

0 1
 P              
 C                  1            B1
 C                  2            B2    1            A1
 C                  2            B3    1            A2    3            D1    0
 C                  3            B4    2            A3    1            D2    0
 C                  4            B5    2            A4    1            D3    0
 C                  5            B6    3            A5    2            D4    0
 O                  1            B7    2            A6    3            D5    0
 Si                 8            B8    1            A7    2            D6    0
 H                  1            B9    2            A8    3            D7    0
 C                  1           B10    2            A9    3            D8    0
 C                  1           B11    2           A10    3            D9    0
 C                  9           B12    8           A11    1           D10    0
 C                 13           B13    9           A12    8           D11    0
 C                 13           B14    9           A13    8           D12    0
 C                 14           B15   13           A14    9           D13    0
 C                 15           B16   13           A15    9           D14    0
 C                 17           B17   15           A16   13           D15    0
 H                 14           B18   13           A17    9           D16    0
 H                 15           B19   13           A18    9           D17    0
 H                 16           B20   14           A19   13           D18    0
 H                 17           B21   15           A20   13           D19    0
 H                 18           B22   17           A21   15           D20    0
 H                 12           B23    1           A22    2           D21    0
 H                 12           B24    1           A23    2           D22    0
 C                 11           B25    1           A24    2           D23    0
 C                 26           B26   11           A25    1           D24    0
 H                  7           B27    5           A26    3           D25    0
 H                  3           B28    2           A27    1           D26    0
 H                  4           B29    2           A28    1           D27    0
 H                 26           B30   11           A29    1           D28    0
 H                 26           B31   11           A30    1           D29    0
 H                 27           B32   26           A31   11           D30    0
 H                 11           B33    1           A32    2           D31    0
 H                 11           B34    1           A33    2           D32    0
 H                  5           B35    3           A34    2           D33    0
 H                  6           B36    4           A35    2           D34    0
 H                 27           B37   26           A36   11           D35    0
 O                  9           B38    8           A37    1           D36    0
 O                  9           B39    8           A38    1           D37    0
 C                 40           B40    9           A39    8           D38    0
 C                 39           B41    9           A40    8           D39    0
 H                 42           B42   39           A41    9           D40    0
 H                 42           B43   39           A42    9           D41    0
 H                 41           B44   40           A43    9           D42    0
 H                 41           B45   40           A44    9           D43    0

   B1             1.80104900
   B2             1.39874860
   B3             1.40117490
   B4             1.39426532
   B5             1.39210155
   B6             1.39357091
   B7             2.72526177
   B8             1.57617955
   B9             1.42624501
   B10            1.82912080
   B11            1.84014089
   B12            1.88406345
   B13            1.40308892
   B14            1.40300943
   B15            1.39480633
   B16            1.39575230
   B17            1.39531002
   B18            1.09394566
   B19            1.09352584
   B20            1.09220774
   B21            1.09215593
   B22            1.09194257
   B23            1.10021409
   B24            1.09792232
   B25            1.53507677
   B26            1.53343780
   B27            1.09129112
   B28            1.09148550
   B29            1.09346202
   B30            1.09825120
   B31            1.10157499
   B32            1.10167698
   B33            1.10068622
   B34            1.09757531
   B35            1.09087215
   B36            1.09089396
   B37            1.09833104
   B38            1.71294417
   B39            1.69914811
   B40            1.40840032
   B41            1.40506186
   B42            1.10187630
   B43            1.10801448
   B44            1.10641857
   B45            1.10186548
   A1           118.92777028
   A2           120.44425201
   A3           119.35718795
   A4           119.59389293
   A5           120.23571316
   A6            94.91328379
   A7           139.59122219
   A8           107.10661798
   A9           112.87583491
   A10          111.98519414
   A11          112.82522301
   A12          120.21817600
   A13          121.99311724
   A14          121.42036935
   A15          121.27214877
   A16          119.97534731
   A17          118.90134652
   A18          119.07310088
   A19          120.12393885
   A20          120.07567189
   A21          120.14516997
   A22          107.28157029
   A23          111.41062634
   A24          104.17124847
   A25          107.26115861
   A26          119.97914030
   A27          120.94666251
   A28          120.78618842
   A29          110.99168548
   A30          109.66317756
   A31          109.45852213
   A32          108.50815832
   A33          107.36671101
   A34          119.14760028
   A35          119.80682583
   A36          112.06751875
   A37          113.70530570
   A38          121.15792891
   A39          111.05799370
   A40          110.18434992
   A41          110.51842501
   A42          110.46929260
   A43          110.39082495
   A44          110.34096973
   D1           177.07338004
   D2           176.92121694
   D3          -177.03905495
   D4             0.03942062
   D5           -31.08713859
   D6            -1.13065136
   D7             0.38993389
   D8          -118.19388058
   D9           134.34271706
   D10          -65.61777146
   D11           25.17524873
   D12         -156.97062327
   D13          176.82610160
   D14         -176.92483637
   D15           -0.25056109
   D16           -3.14501463
   D17            3.79995149
   D18         -179.65386868
   D19         -180.00000000
   D20          179.89559676
   D21         -134.09362642
   D22          -16.27243666
   D23         -133.44607369
   D24           38.81138655
   D25         -179.65273673
   D26           -2.30344772
   D27            2.65478526
   D28          161.35677324
   D29          -80.14847981
   D30           70.31091536
   D31          -14.47068875
   D32          103.15943936
   D33         -179.21482051
   D34          179.95050221
   D35         -170.81054317
   D36           57.69470498
   D37          167.92273996
   D38         -111.84588613
   D39          140.36920745
   D40         -151.96212844
   D41           89.16225703
   D42           92.92321648
   D43         -148.16217431

 1 2 1.0 10 1.0 11 1.0 12 1.0
 2 3 1.5 4 1.5
 3 5 1.5 29 1.0
 4 6 1.5 30 1.0
 5 7 1.5 36 1.0
 6 7 1.5 37 1.0
 7 28 1.0
 8 9 2.0
 9 13 1.0 39 1.5 40 1.5
 10
 11 26 1.0 34 1.0 35 1.0
 12 24 1.0 25 1.0 27 1.0
 13 14 1.5 15 1.5
 14 16 1.5 19 1.0
 15 17 1.5 20 1.0
 16 18 1.5 21 1.0
 17 18 1.5 22 1.0
 18 23 1.0
 19
 20
 21
 22
 23
 24
 25
 26 27 1.0 31 1.0 32 1.0
 27 33 1.0 38 1.0
 28
 29
 30
 31
 32
 33
 34
 35
 36
 37
 38
 39 42 1.0
 40 41 1.0
 41 42 1.0 45 1.0 46 1.0
 42 43 1.0 44 1.0
 43
 44
 45
 46

alpha=1.2

--Link1--
%nprocshared=24
%mem=127GB
%chk=T3_Theocat_m062xdef2tzvp_373tol.chk
#p freq=noraman scrf=(solvent=thf,read,smd) pop=(nbo,savenbos) geom=check guess=(read,save) def2tzvp empiricaldispersion=gd3
int=grid=ultrafine rm062x scf=(save,xqc) nosymm

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alpha=1.2


