%nprocshared=12
%mem=23GB
%chk=T0_Catsilanol_m062xdef2tzvp_373tol.chk
#p opt=(ts,noeigentest,calcfc,maxcyc=300) rm062x/def2tzvp scrf=(solvent=toluene,read,smd) pop=(nbo,savenbos) int=grid=ultrafine scf=(save,xqc) temperature=373.15 empiricaldispersion=gd3 geom=connectivity nosymm

Title Card Required

0 1
 P                  0.86950800    0.83601400   -0.42507700
 C                  1.97839700   -0.52941500   -0.08673800
 C                  1.49416000   -1.83452300   -0.09237600
 C                  3.32130900   -0.27777600    0.19451800
 C                  2.36256900   -2.88413100    0.17414800
 C                  4.17940000   -1.33044600    0.46601400
 C                  3.69878200   -2.63436800    0.45150200
 O                 -0.50343700    0.36472600   -0.90576300
 Si                -2.01362994   -0.37452193    0.41803071
 H                 -0.78797282   -0.29720172    1.33635954
 C                  1.58523700    1.95778400   -1.65313800
 C                  0.80852900    2.03450700    0.94254300
 H                 -0.25139700    2.23585700    1.11924400
 H                  1.22611200    1.62263900    1.85936100
 C                  1.27385600    3.35309900   -1.09416500
 C                  1.53489500    3.28210400    0.41389800
 H                  4.36968000   -3.45749100    0.66148600
 H                  0.44411100   -2.02546300   -0.27953000
 H                  3.70216500    0.73794100    0.20709000
 H                  1.87911000    4.11726400   -1.57991000
 H                  0.22402300    3.59436000   -1.27655300
 H                  2.60957200    3.19000800    0.59197000
 H                  2.66318400    1.79184200   -1.70485100
 H                  1.15871200    1.75649400   -2.63432500
 H                  1.98870100   -3.89966400    0.17188900
 H                  5.22054400   -1.13513500    0.68707300
 H                  1.19525400    4.17863300    0.93078600
 O                 -2.88756666    0.03140971   -0.97381281
 O                 -2.93923994    0.60034607    1.43187871
 O                 -2.10844594   -2.04290893    0.47414271
 C                 -2.73765094    0.76883707    2.80328271
 H                 -2.92324094    1.81277607    3.07267971
 H                 -3.42935694    0.14411907    3.37782371
 H                 -1.71833994    0.50574307    3.11044871
 C                 -2.83080494   -2.90207293   -0.36962129
 H                 -2.22697094   -3.79280793   -0.56812329
 H                 -3.75719394   -3.22970793    0.11286871
 H                 -3.08026394   -2.43237793   -1.32353829
 C                 -4.28519011    0.03426353   -0.96427017
 H                 -4.64852644   -0.15577785   -1.97876649
 H                 -4.71413798   -0.73253710   -0.30724731
 H                 -4.67908996    0.99880166   -0.63090837

 1 2 1.0 8 2.0 11 1.0 12 1.0
 2 3 1.5 4 1.5
 3 5 1.5 18 1.0
 4 6 2.0 19 1.0
 5 7 1.5 25 1.0
 6 7 1.5 26 1.0
 7 17 1.0
 8
 9 10 1.0 28 1.5 29 1.5 30 1.5
 10
 11 15 1.0 23 1.0 24 1.0
 12 13 1.0 14 1.0 16 1.0
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 15 16 1.0 20 1.0 21 1.0
 16 22 1.0 27 1.0
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 20
 21
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 23
 24
 25
 26
 27
 28 39 1.0
 29 31 1.0
 30 35 1.0
 31 32 1.0 33 1.0 34 1.0
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 35 36 1.0 37 1.0 38 1.0
 36
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 39 40 1.0 41 1.0 42 1.0
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tabs=373.15
Eps=2.19630
EpsInf=2.13189
surfacetensionatinterface=27.49
alpha=1.2

--Link1--
%nprocshared=12
%mem=23GB
%chk=T0_Catsilanol_m062xdef2tzvp_373tol.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) nosymm

Title Card Required

0 1

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


