%nprocshared=12
%mem=24GB
%chk=Red_I6.chk
#p opt=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                 -1.00565600    0.24317300   -0.00068700
 C                 -0.44577000   -1.40603500   -0.56642600
 C                 -0.46113200   -1.77980300   -1.91165800
 C                  0.03785000   -2.30952100    0.38663700
 C                  0.03171900   -3.02302900   -2.30181200
 C                  0.50576800   -3.55976200   -0.00171100
 C                  0.51543700   -3.91386500   -1.34922700
 O                  0.28229000    0.39631500    1.20765000
 Si                 1.88863100    0.67700000    1.16122600
 H                 -0.38597800    1.33389600   -0.64741800
 C                  2.85648700   -0.72453700    0.41565100
 C                  3.53578100   -1.64624900    1.22260300
 C                  2.83697400   -0.94248800   -0.96947800
 C                  4.16750400   -2.75650500    0.66502700
 C                  3.46173000   -2.05133200   -1.53180600
 C                  4.12703200   -2.96143900   -0.71163800
 H                  3.56443500   -1.49182700    2.29795600
 H                  2.31361800   -0.24248600   -1.61987700
 H                  4.69021000   -3.46156000    1.30430700
 H                  3.42292000   -2.21089600   -2.60498600
 H                  4.61409700   -3.82884600   -1.14690400
 H                  0.90050100   -4.88179000   -1.65431600
 H                 -0.85209600   -1.10566000   -2.66421700
 H                  0.06792900   -2.01930200    1.43184600
 H                  0.03227400   -3.29300500   -3.35297400
 H                  0.88351000   -4.24787500    0.74741500
 C                  2.19135900    2.27792300    0.24620700
 C                  3.37716300    2.50541200   -0.46670800
 C                  1.24456200    3.31319700    0.29572900
 C                  3.60944300    3.71962700   -1.10941400
 H                  4.12671200    1.71907800   -0.52438600
 C                  1.47202000    4.53132100   -0.34022400
 H                  0.31368700    3.16233500    0.83960900
 C                  2.65618300    4.73353200   -1.04623800
 H                  4.53266800    3.87490500   -1.65900200
 H                  0.72683800    5.31909800   -0.28924400
 H                  2.83504700    5.67988800   -1.54721100
 C                 -2.47432000    0.43089900   -1.18329300
 C                 -3.70909400    0.25645300   -0.55376400
 C                 -2.43938200    0.81750400   -2.51951200
 C                 -4.90202000    0.38886800   -1.26285600
 C                 -3.62723100    0.95142100   -3.24017700
 H                 -1.48850400    1.02884200   -3.00769100
 C                 -4.85251400    0.72306600   -2.61423700
 H                 -5.86191300    0.25677900   -0.77195700
 H                 -3.59999300    1.24406100   -4.28512100
 H                 -5.77458200    0.83181900   -3.17630800
 C                 -2.23932700    0.08613400    1.35854600
 C                 -1.95979500   -0.08759200    2.71224500
 C                 -3.56433700    0.01652600    0.89685400
 C                 -3.00317800   -0.32710800    3.60589900
 H                 -0.93500100   -0.03243400    3.05810700
 C                 -4.60122400   -0.23104500    1.79404900
 C                 -4.31632900   -0.40137800    3.14616400
 H                 -2.78931800   -0.45591200    4.66177500
 H                 -5.62681500   -0.29144800    1.44316800
 H                 -5.12431300   -0.59158200    3.84565900
 O                  2.43977300    0.76674900    2.72180300
 H                  2.09343000    1.49265000    3.24670100

 1 2 1.0 8 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_I6.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


