%nprocshared=12
%mem=23GB
%chk=T1_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

Title Card Required

0 1
 P                  0.69983900    0.82592500   -0.28062200
 C                  1.80404000   -0.57110200   -0.00720900
 C                  1.53555800   -1.78674600   -0.62844700
 C                  2.94692000   -0.42629600    0.77414000
 C                  2.40848000   -2.85250800   -0.46335900
 C                  3.81045900   -1.49835500    0.94403400
 C                  3.54236000   -2.71160500    0.32449000
 O                 -0.61422400    0.54176100   -1.11287200
 Si                -1.73174800   -0.14890500    0.00389500
 H                 -0.30892000    0.04546300    0.93217800
 C                  1.61937400    1.80206900   -1.55926000
 C                  0.74569400    2.19062700    0.93461300
 H                 -0.30336400    2.46467300    1.07920100
 H                  1.11396800    1.82312700    1.89237400
 C                  1.36078300    3.26277200   -1.19100700
 C                  1.54794400    3.34353900    0.32781900
 H                  4.21838700   -3.54662300    0.45550800
 H                  0.64429800   -1.90149000   -1.23293100
 H                  3.17001800    0.52074700    1.25336700
 H                  2.02751700    3.94555700   -1.71784100
 H                  0.33449500    3.53709200   -1.45141000
 H                  2.60858700    3.22673300    0.56489900
 H                  2.68642300    1.58255600   -1.46756300
 H                  1.30125000    1.53278700   -2.56466900
 H                  2.19891300   -3.79688300   -0.94910200
 H                  4.69478000   -1.38434100    1.55759200
 H                  1.22543700    4.30217600    0.73367100
 O                 -2.94108100   -0.18174300   -1.13823000
 O                 -2.48029400    0.81884300    1.11454500
 O                 -1.54778800   -1.74004100    0.39562900
 C                 -2.22559800    0.88350400    2.49263100
 H                 -2.46853200    1.88602100    2.85088300
 H                 -2.84929100    0.16491300    3.03140400
 H                 -1.17897900    0.66849600    2.73171000
 C                 -2.14146400   -2.84729300   -0.24160300
 H                 -1.38013100   -3.61637200   -0.39543600
 H                 -2.92472200   -3.27274300    0.39141000
 H                 -2.57474900   -2.58314500   -1.20866800
 C                 -4.27015300   -0.43681200   -0.76926700
 H                 -4.81172300   -0.81566600   -1.63935000
 H                 -4.35270600   -1.18349600    0.03042700
 H                 -4.76334700    0.47488200   -0.42087500

 1 2 1.0 8 1.5 11 1.0 12 1.0
 2 3 1.5 4 1.5
 3 5 1.5 18 1.0
 4 6 1.5 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 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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 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=T1_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)

Title Card Required

0 1

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


