%nprocshared=12
%mem=23GB
%chk=I0_Catsilanol_m062xdef2tzvp_373tol.chk
#p opt=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                -1.79955900   -0.26973300    0.23038200
 H                 -0.67016700   -0.31735200    1.26660000
 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                 -2.82928700    0.00540200   -1.08481200
 O                 -2.72516900    0.70513500    1.24423000
 O                 -1.89437500   -1.93812000    0.28649400
 C                 -2.52358000    0.87362600    2.61563400
 H                 -2.70917000    1.91756500    2.88503100
 H                 -3.21528600    0.24890800    3.19017500
 H                 -1.50426900    0.61053200    2.92280000
 C                 -2.61673400   -2.79728400   -0.55727000
 H                 -2.01290000   -3.68801900   -0.75577200
 H                 -3.54312300   -3.12491900   -0.07478000
 H                 -2.86619300   -2.32758900   -1.51118700
 C                 -4.21658900   -0.07415100   -0.93476200
 H                 -4.66397700   -0.34167700   -1.89684600
 H                 -4.52908800   -0.82723000   -0.20068100
 H                 -4.63760400    0.88239700   -0.61167800

 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 1.0
 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
 13
 14
 15 16 1.0 20 1.0 21 1.0
 16 22 1.0 27 1.0
 17
 18
 19
 20
 21
 22
 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
 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
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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=I0_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



