%nprocshared=12
%mem=23GB
%chk=red1_m1T4_H25C22O2SiP_m062xdef2tzvp_373tolsmd.chk
#p opt=(ts,noeigentest,calcfc,maxcyc=300,newton,z-matrix) rm062x/def2tzvp scrf=(solvent=toluene,read,smd) pop=(nbo,savenbos) int=grid=ultrafine scf=(save,xqc) temperature=373.15 empiricaldispersion=gd3 geom=connectivity

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                  6            B6    4            A5    2            D4    0
 O                  1            B7    2            A6    4            D5    0
 Si                 8            B8    1            A7    2            D6    0
 H                  9            B9    8            A8    1            D7    0
 C                  1           B10    8            A9    9            D8    0
 C                  1           B11    8           A10    9            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                 16           B17   14           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   16           A21   14           D20    0
 H                 12           B23    1           A22    8           D21    0
 H                 12           B24    1           A23    8           D22    0
 C                 11           B25    1           A24    8           D23    0
 C                 26           B26   11           A25    1           D24    0
 H                  7           B27    6           A26    4           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    8           D31    0
 H                 11           B34    1           A33    8           D32    0
 H                  5           B35    3           A34    2           D33    0
 H                  6           B36    4           A35    2           D34    0
 C                  9           B37    8           A36    1           D35    0
 C                 38           B38    9           A37    8           D36    0
 C                 38           B39    9           A38    8           D37    0
 C                 39           B40   38           A39    9           D38    0
 H                 39           B41   38           A40    9           D39    0
 C                 40           B42   38           A41    9           D40    0
 H                 40           B43   38           A42    9           D41    0
 C                 43           B44   40           A43   38           D42    0
 H                 41           B45   39           A44   38           D43    0
 H                 43           B46   40           A45   38           D44    0
 H                 45           B47   43           A46   40           D45    0
 O                  9           B48    8           A47    1           D46    0
 H                 49           B49    9           A48    8           D47    0
 H                 27           B50   26           A49   11           D48    0

   B1             1.79195898
   B2             1.40046615
   B3             1.39220243
   B4             1.38677998
   B5             1.39229399
   B6             1.38979891
   B7             1.55621774
   B8             1.82395364
   B9             1.61562266
   B10            1.83164256
   B11            1.81630099
   B12            1.90331096
   B13            1.39786205
   B14            1.39048904
   B15            1.39037417
   B16            1.38551948
   B17            1.39081172
   B18            1.08545558
   B19            1.08959348
   B20            1.08192611
   B21            1.09107558
   B22            1.08623326
   B23            1.10163116
   B24            1.08477955
   B25            1.52816950
   B26            1.53885128
   B27            1.08209368
   B28            1.09056947
   B29            1.09318285
   B30            1.09220983
   B31            1.09302141
   B32            1.08318102
   B33            1.09268345
   B34            1.08509937
   B35            1.08242183
   B36            1.08322838
   B37            1.89797538
   B38            1.40662194
   B39            1.40432089
   B40            1.37848069
   B41            1.08213834
   B42            1.39300862
   B43            1.08664986
   B44            1.38514306
   B45            1.08689341
   B46            1.08552098
   B47            1.08261002
   B48            1.69996425
   B49            0.95884814
   B50            1.09473052
   A1           121.73357470
   A2           118.20108194
   A3           120.08433046
   A4           119.76896215
   A5           120.01692886
   A6           112.67626662
   A7           111.00352105
   A8            79.75339295
   A9           104.45350999
   A10          118.15156137
   A11          123.38971779
   A12          121.77721131
   A13          120.84033887
   A14          121.42684089
   A15          121.94103572
   A16          119.90886618
   A17          118.82128538
   A18          119.18292667
   A19          120.31247617
   A20          120.43450380
   A21          120.01677118
   A22          104.97696097
   A23          111.73434010
   A24          104.26439480
   A25          106.20823844
   A26          119.97045494
   A27          120.54918145
   A28          120.37626161
   A29          111.83268278
   A30          110.19661509
   A31          112.07343818
   A32          108.48173002
   A33          110.91938246
   A34          120.15430346
   A35          119.23811473
   A36          116.09814090
   A37          121.77886270
   A38          121.34495982
   A39          121.88124877
   A40          118.56144904
   A41          121.57511117
   A42          119.02707093
   A43          119.99230221
   A44          120.23933294
   A45          119.72805303
   A46          120.50064544
   A47           88.08014096
   A48          115.15898056
   A49          109.04985476
   D1          -178.73635226
   D2          -178.83506162
   D3           179.10319416
   D4            -0.42546924
   D5            24.55846804
   D6            68.86236023
   D7             3.79538279
   D8          -175.10224414
   D9           -71.13656949
   D10          -76.95518782
   D11          -88.32849125
   D12           91.89222663
   D13          179.39609400
   D14          179.37065157
   D15            1.16848536
   D16            0.05784622
   D17           -0.75403262
   D18         -179.26279172
   D19          179.99720748
   D20          179.66547213
   D21            2.45774950
   D22          117.83060176
   D23           99.95596262
   D24           42.29982362
   D25          179.69774702
   D26            1.68064709
   D27           -2.53504370
   D28          164.24367509
   D29          -76.43746432
   D30         -170.81116936
   D31         -142.38204890
   D32          -23.57683861
   D33         -179.85047520
   D34          179.33638956
   D35           88.07232231
   D36          -90.10162445
   D37           92.04706626
   D38         -177.72597694
   D39            1.32573634
   D40          178.24128634
   D41           -0.36368342
   D42           -0.12449391
   D43          179.57825750
   D44          179.31282496
   D45         -179.87683439
   D46         -172.50523512
   D47          -25.34029239
   D48           69.45596929

 1 2 1.0 8 1.5 11 1.0 12 1.0
 2 3 1.5 4 1.5
 3 5 2.0 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 1.0
 9 13 1.0 38 1.0 49 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 51 1.0
 28
 29
 30
 31
 32
 33
 34
 35
 36
 37
 38 39 1.5 40 1.5
 39 41 1.5 42 1.0
 40 43 1.5 44 1.0
 41 45 1.5 46 1.0
 42
 43 45 1.5 47 1.0
 44
 45 48 1.0
 46
 47
 48
 49 50 1.0
 50
 51

tabs=373.15
Eps=2.19630
EpsInf=2.13189
surfacetensionatinterface=27.49
alpha=1.2

--Link1--
%nprocshared=12
%mem=23GB
%chk=red1_m1T4_H25C22O2SiP_m062xdef2tzvp_373tolsmd.chk
#p freq=noraman rm062x/def2tzvp scrf=(solvent=toluene,read,smd) pop=(nbo,savenbos) int=grid=ultrafine scf=(save,xqc) temperature=373.15 empiricaldispersion=gd3 geom=check guess=(read,save)

Title Card Required

0 1

tabs=373.15
Eps=2.19630
EpsInf=2.13189
surfacetensionatinterface=27.49
alpha=1.2



