%nprocshared=8
%mem=23GB
%chk=red1_H12C12Si_m062xdef2tzvp_373tolsmd.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

H2SiPh2 - Dioxane - MauroFianchini - 25/3/2016

0 1
 Si                -0.00000000    0.00000000    1.57623905
 H                  1.19555905   -0.10424813    2.44373003
 C                  0.05970505    1.53331092    0.50644907
 C                 -0.68639292    2.66882093    0.82800411
 C                  0.86689303    1.57568992   -0.63417694
 C                 -0.62461591    3.81257894    0.04272212
 H                 -1.32952291    2.66211693    1.70129512
 C                  0.93241104    2.71533693   -1.42196592
 H                  1.44828801    0.70408492   -0.91657096
 C                  0.18626507    3.83654494   -1.08262989
 H                 -1.21197789    4.68295495    0.30690115
 H                  1.56294002    2.72969294   -2.30204393
 H                  0.23475107    4.72648295   -1.69739788
 H                 -1.19555905    0.10424813    2.44373003
 C                 -0.05970505   -1.53331092    0.50644907
 C                  0.68639292   -2.66882093    0.82800411
 C                 -0.86689303   -1.57568992   -0.63417694
 C                  0.62461591   -3.81257894    0.04272212
 H                  1.32952291   -2.66211693    1.70129512
 C                 -0.93241104   -2.71533693   -1.42196592
 H                 -1.44828801   -0.70408492   -0.91657096
 C                 -0.18626507   -3.83654494   -1.08262989
 H                  1.21197789   -4.68295495    0.30690115
 H                 -1.56294002   -2.72969294   -2.30204393
 H                 -0.23475107   -4.72648295   -1.69739788

 1 2 1.0 3 1.0 14 1.0 15 1.0
 2
 3 4 1.5 5 1.5
 4 6 1.5 7 1.0
 5 8 1.5 9 1.0
 6 10 1.5 11 1.0
 7
 8 10 1.5 12 1.0
 9
 10 13 1.0
 11
 12
 13
 14
 15 16 1.5 17 1.5
 16 18 1.5 19 1.0
 17 20 1.5 21 1.0
 18 22 1.5 23 1.0
 19
 20 22 1.5 24 1.0
 21
 22 25 1.0
 23
 24
 25

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

--Link1--
%nprocshared=8
%mem=23GB
%chk=red1_H12C12Si_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)

H2SiPh2 - Dioxane - MauroFianchini - 25/3/2016

0 1

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


