%nprocshared=12
%mem=24GB
%chk=Red_T9.chk
#p opt=(ts,noeigentest,calcfc,maxcyc=400) rm062x/def2tzvp scrf=(solvent=1,4-dioxane,read,smd) pop=(nbo,savenbos) geom=connectivity int=grid=ultrafine scf=(save,xqc) temperature=373.15 empiricaldispersion=gd3

Title

0 1
 P                 -1.28532600   -0.03598000   -0.04062500
 C                 -0.69105800   -1.70942300   -0.33549700
 C                 -1.08196100   -2.41292200   -1.47818300
 C                  0.18180800   -2.28560000    0.59625100
 C                 -0.58477400   -3.69499100   -1.69534800
 C                  0.66201800   -3.57026700    0.37104900
 C                  0.28607600   -4.27003100   -0.77405700
 O                  0.74691800    0.56966300    1.67801500
 Si                 2.27782800    0.73976900    1.28932100
 H                 -0.18691800    0.83203900    0.19843600
 C                  2.97208900   -0.70290000    0.29673500
 C                  3.72271600   -1.72382600    0.89395000
 C                  2.62986900   -0.85477900   -1.05569300
 C                  4.10721100   -2.85625500    0.17548500
 C                  3.00147100   -1.98388500   -1.78091000
 C                  3.74099400   -2.99093700   -1.16147700
 H                  4.00730800   -1.62517500    1.93872500
 H                  2.05843700   -0.07054600   -1.55367500
 H                  4.69260500   -3.63380100    0.65835700
 H                  2.71674300   -2.08138800   -2.82464700
 H                  4.03446800   -3.87398700   -1.72164500
 H                  0.67795600   -5.26666500   -0.95079000
 H                 -1.76659900   -1.97020000   -2.19430800
 H                  0.50155200   -1.70393200    1.45629000
 H                 -0.88042800   -4.24166300   -2.58453500
 H                  1.35515600   -4.01152500    1.07891700
 C                  2.50312500    2.28716300    0.23096500
 C                  3.69535400    2.54073800   -0.46374900
 C                  1.46707400    3.22290600    0.10324300
 C                  3.84913300    3.67835500   -1.25222000
 H                  4.51598100    1.82920400   -0.38994100
 C                  1.61014500    4.36648300   -0.68285500
 H                  0.53713300    3.05160300    0.64286100
 C                  2.80329400    4.59418000   -1.36344100
 H                  4.78169900    3.85286400   -1.78093800
 H                  0.79411900    5.07905500   -0.76301700
 H                  2.92003700    5.48194800   -1.97793700
 C                 -2.55990600    0.39609400   -1.23628600
 C                 -3.79426500    0.53762500   -0.57324300
 C                 -2.44451100    0.59300800   -2.60792300
 C                 -4.92630100    0.87034800   -1.31246700
 C                 -3.58562600    0.92606600   -3.33588300
 H                 -1.48371800    0.49152900   -3.10429600
 C                 -4.81415900    1.05897600   -2.68858400
 H                 -5.88861900    0.98728300   -0.82444800
 H                 -3.51626500    1.08523600   -4.40624600
 H                 -5.69635800    1.31948200   -3.26399300
 C                 -2.41357600    0.05573400    1.35098500
 C                 -2.12084900   -0.10321700    2.69859000
 C                 -3.71267700    0.33337300    0.89127000
 C                 -3.17228100   -0.01201800    3.61067700
 H                 -1.09090300   -0.25641100    3.00697100
 C                 -4.74993000    0.42507500    1.81482100
 C                 -4.47087100    0.24304500    3.16878000
 H                 -2.97672400   -0.12934500    4.67099200
 H                 -5.76330800    0.64173600    1.49179400
 H                 -5.27737000    0.31415000    3.89128400
 O                  3.33641600    0.80606100    2.58632600
 H                  2.99984500    1.32694700    3.32002500

 1 2 1.0 10 1.0 38 1.0 48 1.0
 2 3 1.5 4 1.5
 3 5 1.5 23 1.0
 4 6 1.5 24 1.0
 5 7 1.5 25 1.0
 6 7 1.5 26 1.0
 7 22 1.0
 8 9 2.0
 9 11 1.0 27 1.0 58 1.5
 10
 11 12 1.5 13 1.5
 12 14 1.5 17 1.0
 13 15 1.5 18 1.0
 14 16 1.5 19 1.0
 15 16 1.5 20 1.0
 16 21 1.0
 17
 18
 19
 20
 21
 22
 23
 24
 25
 26
 27 28 1.5 29 1.5
 28 30 1.5 31 1.0
 29 32 1.5 33 1.0
 30 34 1.5 35 1.0
 31
 32 34 1.5 36 1.0
 33
 34 37 1.0
 35
 36
 37
 38 39 1.5 40 1.5
 39 41 1.5 50 1.0
 40 42 1.5 43 1.0
 41 44 1.5 45 1.0
 42 44 1.5 46 1.0
 43
 44 47 1.0
 45
 46
 47
 48 49 1.5 50 1.5
 49 51 1.5 52 1.0
 50 53 1.5
 51 54 1.5 55 1.0
 52
 53 54 1.5 56 1.0
 54 57 1.0
 55
 56
 57
 58 59 1.0
 59

tabs=373.15
Eps=2.07913
EpsInf=1.92280
surfacetensionatinterface=32.13
alpha=1.2

--Link1--
%nprocshared=12
%mem=24GB
%chk=Red_T9.chk
#p freq=noraman rm062x/def2tzvp scrf=(solvent=1,4-dioxane,read,smd) pop=(nbo,savenbos) int=grid=ultrafine scf=(save,xqc) temperature=373.15 empiricaldispersion=gd3 guess=(read,save) geom=check

Title

0 1

tabs=373.15
Eps=2.07913
EpsInf=1.92280
surfacetensionatinterface=32.13
alpha=1.2


