%nprocshared=12
%mem=23GB
%chk=I2_Cattiphesil_m062xdef2tzvp_373tol.chk
#p opt=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                  1.70417500    1.49300200   -0.25198100
 C                  2.41844200   -0.18439300   -0.13356000
 C                  2.99323100   -0.62968900    1.05375200
 C                  2.36841300   -1.04560300   -1.22672000
 C                  3.51234900   -1.91333000    1.14448500
 C                  2.92069900   -2.31602400   -1.14701600
 C                  3.49080900   -2.75383000    0.04049400
 O                  0.16160700    0.81889700   -0.84103100
 Si                -1.06019100    0.05476800   -0.09106300
 H                  0.99086900    1.93288100    0.87876800
 C                  1.82403300    2.35202500   -1.88443000
 C                  3.26928500    2.41064400    0.31476700
 C                 -0.47567300   -1.02909800    1.32954900
 C                 -0.08869100   -2.35470900    1.11278000
 C                 -0.32190500   -0.50649900    2.61743000
 C                  0.43151100   -3.12962800    2.14014600
 C                  0.20256500   -1.27463500    3.64933500
 C                  0.57940800   -2.58930700    3.41084500
 H                 -0.19101600   -2.78895000    0.12376100
 H                 -0.62157500    0.51663300    2.82191800
 H                  0.72746100   -4.15367600    1.94793200
 H                  0.31121700   -0.84925100    4.63944800
 H                  0.98453600   -3.19254700    4.21406900
 H                  2.94495700    3.38295800    0.70523100
 H                  3.81345600    1.90455500    1.11126300
 C                  3.10297100    3.18016200   -1.97385900
 C                  4.09148800    2.61996900   -0.94546400
 H                  3.90647100   -3.75123100    0.10834400
 H                  3.01474500    0.01323900    1.92501700
 H                  1.88104200   -0.72931900   -2.14060100
 H                  3.50982200    3.16778700   -2.98525400
 H                  2.88792800    4.22117800   -1.72227700
 H                  4.48763000    1.66049700   -1.29517300
 H                  1.78906700    1.55425800   -2.62861100
 H                  0.90902600    2.92695800   -2.02108600
 H                  3.92990700   -2.25674300    2.08240800
 H                  2.89029900   -2.96944800   -2.00969800
 C                 -2.23340500    1.33816400    0.61747400
 C                 -3.26371800    0.98415600    1.49401200
 C                 -2.11278400    2.68233100    0.26071000
 C                 -4.14259200    1.93479600    1.99248500
 H                 -3.37717600   -0.05079800    1.80188800
 C                 -2.98658600    3.64169700    0.75825400
 H                 -1.32245900    2.98109400   -0.42006300
 C                 -4.00403000    3.26756500    1.62404000
 H                 -4.93386000    1.63919900    2.67033700
 H                 -2.87458700    4.67978900    0.47006200
 H                 -4.68738400    4.01196300    2.01339300
 H                  4.94080900    3.28952700   -0.80219700
 C                 -1.92501100   -1.01627500   -1.36013600
 C                 -1.67261300   -0.83752900   -2.72186700
 C                 -2.85551100   -1.98990100   -0.98681900
 C                 -2.32675600   -1.60242200   -3.67950500
 H                 -0.95175900   -0.08864700   -3.03160100
 C                 -3.51356600   -2.75668900   -1.93798000
 H                 -3.06389800   -2.16224100    0.06462600
 C                 -3.24916200   -2.56269800   -3.28786200
 H                 -2.11695900   -1.45012000   -4.73117300
 H                 -4.23005600   -3.50732100   -1.62791100
 H                 -3.76052300   -3.16070200   -4.03200800

 1 2 1.0 8 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 1.5 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 1.0
 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 1.5 52 1.5
 51 53 1.5 54 1.0
 52 55 1.5 56 1.0
 53 57 1.5 58 1.0
 54
 55 57 1.5 59 1.0
 56
 57 60 1.0
 58
 59
 60

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

--Link1--
%nprocshared=12
%mem=23GB
%chk=I2_Cattiphesil_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


