%nprocshared=20
%mem=47GB
%chk=red1_H12C12OSi_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

HOHSiPh2 - Toluene - MauroFianchini - 25/3/2016

0 1
 O                 -0.18953000    2.54878800    0.55568600
 Si                -0.00075700    1.28185200   -0.48398900
 H                  0.54344200    3.15789600    0.66620100
 C                  1.53944400    0.29198600   -0.12514400
 C                  2.60833400    0.26944700   -1.02275100
 C                  1.65517800   -0.44390100    1.05910400
 C                  3.75880700   -0.46011900   -0.74974900
 C                  2.80145300   -1.17156000    1.33833900
 C                  3.85517700   -1.17963000    0.43197700
 H                  2.54207600    0.82649400   -1.95134700
 H                  0.83521400   -0.45210600    1.77012000
 H                  4.57711800   -0.46809200   -1.45876600
 H                  2.87515700   -1.73599700    2.25940400
 H                  4.74969400   -1.75051200    0.64740500
 C                 -1.53018400    0.24897000   -0.25027300
 C                 -2.60373300    0.70466200    0.51680200
 C                 -1.62833300   -1.00955000   -0.84959000
 C                 -3.74332800   -0.07274600    0.67744900
 H                 -2.54316600    1.67476600    0.99567000
 C                 -2.76573900   -1.78765500   -0.69436100
 H                 -0.80302900   -1.39312700   -1.44151300
 C                 -3.82563600   -1.31787000    0.07075400
 H                 -4.56724300    0.29305900    1.27734700
 H                 -2.82557000   -2.76054000   -1.16570000
 H                 -4.71407300   -1.92420200    0.19575600
 H                  0.12857400    1.76392400   -1.87955600

 1 2 1.5 3 1.0
 2 4 1.0 15 1.0 26 1.0
 3
 4 5 1.5 6 1.5
 5 7 1.5 10 1.0
 6 8 1.5 11 1.0
 7 9 1.5 12 1.0
 8 9 1.5 13 1.0
 9 14 1.0
 10
 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
 26

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

--Link1--
%nprocshared=20
%mem=47GB
%chk=red1_H12C12OSi_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)

HOHSiPh2 - Toluene - MauroFianchini - 25/3/2016

0 1

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


