%nprocshared=20
%mem=47GB
%chk=T6a_Catphensil_m062xdef2tzvp_373tol.chk
#p freq=noraman scrf=(solvent=toluene,read,smd) nosymm pop=(nbo,savenbos) geom=connectivity def2tzvp empiricaldispersion=gd3 int=grid=ultrafine rm062x scf=(save,xqc) temperature=373.15

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0 1
 P                 -0.03219400    0.09255900   -0.11398200
 C                 -0.17497900   -0.02664700    1.66804800
 C                  0.90094500   -0.44309500    2.45169500
 C                 -1.40028600    0.28178700    2.25447300
 C                  0.74672400   -0.54706200    3.82450200
 C                 -1.54368400    0.17750000    3.63080100
 C                 -0.47438800   -0.23573700    4.41241400
 O                 -2.71860600    0.46549600   -0.65110200
 Si                -4.22869600    0.89885400   -0.49508300
 H                 -1.04264800    0.96368100   -0.58463200
 C                 -0.21073200   -1.51172300   -0.95131500
 C                  1.68954900    0.41302900   -0.63066500
 C                 -4.68592000    1.39120400    1.27435500
 C                 -5.33471100    0.51406800    2.14691700
 C                 -4.30211800    2.63649100    1.78043200
 C                 -5.58639300    0.86152500    3.46977100
 C                 -4.54528400    2.99398200    3.10048500
 C                 -5.18992800    2.10297300    3.94996100
 H                 -5.65474700   -0.45369100    1.77652900
 H                 -3.80146400    3.34627700    1.12756200
 H                 -6.09669800    0.16645100    4.12610400
 H                 -4.23872100    3.96652600    3.46668300
 H                 -5.38810800    2.37816700    4.97876700
 H                  1.65609300    1.16501700   -1.42125900
 H                  2.29383300    0.81243800    0.18171500
 C                  0.98970800   -1.57786100   -1.90512800
 C                  2.17774400   -0.93564300   -1.18359000
 H                 -0.58847700   -0.31585900    5.48597600
 H                  1.85640400   -0.68368600    1.99958400
 H                 -2.22766000    0.58767500    1.62649200
 H                  1.19939000   -2.60607800   -2.19760800
 H                  0.76709700   -1.01468700   -2.81439600
 H                  2.49408500   -1.58028900   -0.35932900
 H                 -0.16503400   -2.29722300   -0.19500700
 H                 -1.18845000   -1.53870100   -1.42827200
 H                  1.57891700   -0.86857400    4.43688100
 H                 -2.49744000    0.42299000    4.08133800
 H                  3.03461700   -0.79980100   -1.84248600
 O                 -5.30968000   -0.31963200   -0.85149900
 H                 -4.90686300   -1.03801100   -1.34388800
 H                 -4.59779800    2.07550300   -1.33639300

 1 2 1.0 10 1.0 11 1.0 12 1.0
 2 3 1.5 4 1.5
 3 5 2.0 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 39 1.5 41 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 38 1.0
 28
 29
 30
 31
 32
 33
 34
 35
 36
 37
 38
 39 40 1.0
 40
 41

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



