%nprocshared=8
%mem=23GB
%chk=red1_m1T3_H25C22O2SiP_m062xdef2tzvp_373tolsmd.chk
#p opt=(ts,noeigentest,calcfc,maxcyc=300,cartesian) 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                  1.96668700   -1.49061500   -0.13228600
 C                  2.38781900    0.24399600   -0.31836600
 C                  2.99763400    0.74245100   -1.46571300
 C                  2.04048400    1.10623800    0.72355300
 C                  3.27208100    2.09897600   -1.56632000
 C                  2.32439500    2.45717000    0.61685900
 C                  2.93961200    2.95289100   -0.52558700
 O                 -0.31430500   -1.04330000    1.26174500
 Si                -1.58505200   -0.10968200    1.16313700
 H                  0.54364300   -1.61098100   -0.07844100
 C                  2.60407700   -2.14917200    1.44020900
 C                  2.94658000   -2.56851200   -1.23264100
 C                 -1.23735500    1.59548600    0.43544800
 C                 -1.25146600    2.76061300    1.20371100
 C                 -0.88847400    1.71448200   -0.91407500
 C                 -0.92740100    3.99520700    0.65018400
 C                 -0.55883800    2.93954100   -1.47521400
 C                 -0.57766400    4.08616900   -0.68948900
 H                 -1.52795000    2.69694600    2.25022600
 H                 -0.88189700    0.82882000   -1.54412700
 H                 -0.95242100    4.88828400    1.26366100
 H                 -0.28899000    3.00441700   -2.52262300
 H                 -0.32594800    5.04648200   -1.12328200
 H                  2.27964600   -3.35391000   -1.59271600
 H                  3.34232100   -2.05010300   -2.10285900
 C                  3.35931200   -3.42431900    1.03935300
 C                  4.02853300   -3.14827600   -0.30890600
 H                  3.14785900    4.01192300   -0.60903800
 H                  3.25966100    0.08795500   -2.28615800
 H                  1.51443200    0.71620700    1.58758700
 H                  4.08263500   -3.70735400    1.80317900
 H                  2.65352800   -4.25152000    0.93303100
 H                  4.82595200   -2.41216100   -0.17886700
 H                  3.27970100   -1.40873900    1.87156700
 H                  1.76535400   -2.29774600    2.11709300
 H                  3.74367900    2.48595700   -2.46002700
 H                  2.04217200    3.12714600    1.41779600
 C                 -2.89807600   -0.90508300    0.05929400
 C                 -4.06638800   -0.22974200   -0.30571300
 C                 -2.72493100   -2.20256000   -0.42614700
 C                 -5.02154500   -0.82208700   -1.11989600
 H                 -4.22965100    0.78261900    0.05097900
 C                 -3.67499400   -2.80654200   -1.24192600
 H                 -1.82854500   -2.74695100   -0.14695700
 C                 -4.82651300   -2.11527700   -1.59029600
 H                 -5.91873600   -0.27809500   -1.38983300
 H                 -3.51984600   -3.81603700   -1.60422500
 H                 -5.56984100   -2.58022800   -2.22631600
 H                  4.47170100   -4.04487200   -0.74165000
 O                 -2.29265600    0.28341200    2.61835900
 H                 -2.35651400   -0.44826200    3.23613800

 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 2.0 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 38 1.0 50 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 49 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 51 1.0
 51

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

--Link1--
%nprocshared=8
%mem=23GB
%chk=red1_m1T3_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


