%nprocshared=8
%mem=24GB
%chk=Red_T6.chk
#p opt=(ts,noeigentest,calcfc,maxcyc=300) rm062x/def2tzvp scrf=(solvent=1,4-dioxane,read,smd) pop=(nbo,savenbos) int=grid=ultrafine scf=(save,xqc) temperature=373.15 empiricaldispersion=gd3

Title

0 1
 P                  1.06833700   -0.35306700   -0.31961600
 C                  0.61690000   -1.81329000    0.61446600
 C                  1.04393400   -1.99188900    1.92799700
 C                 -0.13742400   -2.79593600   -0.02138600
 C                  0.70544300   -3.15215800    2.60536200
 C                 -0.46894700   -3.95568800    0.66357700
 C                 -0.05015900   -4.13268700    1.97406300
 O                  0.09112800   -0.05216500   -1.47363600
 Si                -1.60745400    0.44325100   -0.95335400
 H                 -0.95634800    0.26935500    0.48705900
 C                 -2.93818900   -0.85214500   -0.53201900
 C                 -3.84208700   -1.27457900   -1.50953800
 C                 -3.06561800   -1.40259000    0.74538800
 C                 -4.83861800   -2.19989100   -1.22541100
 C                 -4.05760600   -2.32725000    1.04182700
 C                 -4.94777600   -2.72826300    0.05385000
 H                 -3.76055900   -0.86933300   -2.51262500
 H                 -2.36159000   -1.11041400    1.51887700
 H                 -5.52933400   -2.51012000   -2.00019100
 H                 -4.13388300   -2.74074200    2.04040700
 H                 -5.72173700   -3.45167700    0.27967800
 H                 -0.31702800   -5.03507900    2.50889800
 H                  1.62585800   -1.22392900    2.42337600
 H                 -0.48845700   -2.64563600   -1.03520100
 H                  1.02761500   -3.28946100    3.62927000
 H                 -1.06929400   -4.71200000    0.17532100
 C                 -2.03796300    2.25628600   -0.57550000
 C                 -2.37934100    2.66725200    0.71534600
 C                 -2.04590400    3.21923200   -1.58416700
 C                 -2.72426300    3.98227300    0.99075600
 H                 -2.38577500    1.93590700    1.51924500
 C                 -2.36322700    4.54612600   -1.31585600
 H                 -1.80096900    2.92345100   -2.59904500
 C                 -2.70704500    4.92850900   -0.02747300
 H                 -3.00439600    4.27367900    1.99597900
 H                 -2.34976200    5.28006600   -2.11261300
 H                 -2.96397400    5.95913600    0.18437600
 H                 -1.88731400    0.50683700   -2.43943000
 C                  1.70364400    0.97241100    0.71930800
 C                  3.08539800    1.11372100    0.50712500
 C                  1.03531100    1.78055400    1.62446300
 C                  3.78988300    2.07473700    1.21616400
 C                  1.75153100    2.74208600    2.32686000
 H                 -0.03021800    1.66904200    1.76697800
 C                  3.11712600    2.88491500    2.12202000
 H                  4.85450900    2.19921600    1.06583900
 H                  1.23801800    3.38564700    3.02860600
 H                  3.66568700    3.63962900    2.67102300
 C                  2.68259300   -0.66953300   -1.05083700
 C                  3.01756800   -1.60446900   -2.01434400
 C                  3.64279600    0.17887400   -0.49467200
 C                  4.34021000   -1.69151500   -2.43003900
 H                  2.26330800   -2.25385600   -2.44174400
 C                  4.96302700    0.08439700   -0.91133600
 C                  5.30195600   -0.85302500   -1.87842900
 H                  4.62253700   -2.41265700   -3.18552900
 H                  5.72444600    0.73146600   -0.49529200
 H                  6.33001200   -0.92949900   -2.20836200

 1 2 1.0 8 1.5 39 1.0 49 1.0
 2 3 1.5 4 1.5
 3 5 2.0 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 1.0
 9 11 1.0 27 1.0 38 1.0
 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 40 1.5 41 2.0
 40 42 1.5 51 1.0
 41 43 1.5 44 1.0
 42 45 1.5 46 1.0
 43 45 1.5 47 1.0
 44
 45 48 1.0
 46
 47
 48
 49 50 2.0 51 1.5
 50 52 1.5 53 1.0
 51 54 1.5
 52 55 1.5 56 1.0
 53
 54 55 1.5 57 1.0
 55 58 1.0
 56
 57
 58

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

--Link1--
%nprocshared=8
%mem=24GB
%chk=Red_T6.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


