%nprocshared=12
%mem=23GB
%chk=T9a_Catphensil_m062xdef2tzvp_373tol.chk
#p opt=(calcfc,ts,noeigentest,maxcyc=300,cartesian) scrf=(solvent=toluene,read,smd) nosymm pop=(nbo,savenbos) geom=connectivity def2tzvp
empiricaldispersion=gd3 int=grid=ultrafine rm062x scf=(save,xqc) temperature=373.15

Title Card Required

0 1
 P                 -0.05606500   -0.01060200   -0.10957800
 C                 -0.14638500   -0.04198800    1.68303900
 C                  1.00621600   -0.08720300    2.46616000
 C                 -1.40735600   -0.05059900    2.28016200
 C                  0.89677700   -0.13587200    3.84701000
 C                 -1.50393200   -0.09455200    3.66357200
 C                 -0.35740000   -0.13673800    4.44452300
 O                 -2.77079900    0.08634800   -0.53969600
 Si                -4.09533700    0.93086300   -0.51230100
 H                 -1.14632900    0.74445800   -0.60689600
 C                 -0.14079500   -1.68243800   -0.82565700
 C                  1.62464600    0.38501100   -0.69267900
 C                 -4.66151900    1.41409500    1.22139000
 C                 -5.62760400    0.68421800    1.91896700
 C                 -4.06015200    2.48646300    1.88873900
 C                 -5.97763900    1.00561100    3.22551200
 C                 -4.40181700    2.81659000    3.19396100
 C                 -5.36357700    2.07345300    3.86672800
 H                 -6.11981700   -0.14440300    1.42238100
 H                 -3.31168000    3.07917600    1.37199800
 H                 -6.73369300    0.42704100    3.74295300
 H                 -3.92202900    3.65408000    3.68631900
 H                 -5.63695800    2.32952300    4.88314400
 H                  1.50931600    0.99234800   -1.59283500
 H                  2.19911000    0.96604800    0.02599800
 C                  1.10762700   -1.79166000   -1.71453200
 C                  2.22414000   -0.98466500   -1.04529300
 H                 -0.43874400   -0.16882600    5.52355500
 H                  1.98896700   -0.08323200    2.01081100
 H                 -2.29009700   -0.02354000    1.65071200
 H                  1.39187000   -2.83311400   -1.86023400
 H                  0.89404000   -1.36775700   -2.69817100
 H                  2.54683100   -1.49432700   -0.13347400
 H                 -0.11823400   -2.40241100   -0.00641300
 H                 -1.09125500   -1.78121300   -1.34656300
 H                  1.79071100   -0.16935300    4.45589000
 H                 -2.48255000   -0.08870500    4.12622200
 H                  3.09640300   -0.87643500   -1.68908100
 O                 -3.89079700    2.35944100   -1.34061400
 H                 -4.68743400    2.88455100   -1.44486700
 O                 -5.42285700    0.15042500   -1.13953600
 H                 -5.19222500   -0.58461500   -1.71175400

 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 41 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
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 25
 26 27 1.0 31 1.0 32 1.0
 27 33 1.0 38 1.0
 28
 29
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 31
 32
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 35
 36
 37
 38
 39 40 1.0
 40
 41 42 1.0
 42

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

--Link1--
%nprocshared=12
%mem=23GB
%chk=T9a_Catphensil_m062xdef2tzvp_373tol.chk
#p freq=noraman scrf=(solvent=toluene,read,smd) nosymm pop=(nbo,savenbos) geom=check guess=(read,save) def2tzvp empiricaldispersion=gd3 int=grid=ultrafine rm062x scf=(save,xqc) temperature=373.15

Title Card Required

0 1

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


