%nprocshared=20 %mem=47GB %chk=T0_Catphensil_m062xdef2tzvp_373tol.chk #p freq=noraman rm062x/def2tzvp scrf=(solvent=toluene,read,smd) int=grid=ultrafine scf=xqc temperature=373.15 empiricaldispersion=gd3 geom=connectivity Title Card Required 0 1 P -1.80449200 -0.43630200 -0.25672800 C -1.59137900 1.34324900 -0.24000300 C -2.56216500 2.15366000 0.34606200 C -0.45544500 1.91077100 -0.80767100 C -2.39500500 3.52863800 0.36397300 C -0.29343100 3.28871600 -0.78810900 C -1.25994200 4.09468700 -0.20399300 O -0.62080500 -1.13755400 -0.92602600 Si 1.02351500 -1.39316700 0.03776700 H 0.37854800 -0.37957200 0.98474400 C -3.34710100 -0.88679400 -1.09302900 C -2.25261700 -1.09944400 1.37402700 C 2.68546900 -0.44707800 0.13053100 C 3.80274100 -0.75683000 -0.65515400 C 2.82106100 0.60006500 1.04404500 C 4.99730800 -0.06194700 -0.52314000 C 4.01117900 1.30494900 1.18383000 C 5.10542100 0.97243000 0.39862400 H 3.72330200 -1.55497300 -1.38148100 H 1.97029500 0.87073700 1.66162700 H 5.84750800 -0.32429700 -1.14168700 H 4.08438200 2.11162000 1.90348000 H 6.03646500 1.51670800 0.50104400 H -1.56358200 -1.93021300 1.54962000 H -2.09187200 -0.36886900 2.16467300 C -3.90877400 -2.01647000 -0.21914800 C -3.70773400 -1.57684800 1.23490800 H -1.12846700 5.16893000 -0.18707000 H -3.44637600 1.71491400 0.79698000 H 0.30307900 1.27923400 -1.25366200 H -4.95560800 -2.21183200 -0.44802300 H -3.35016900 -2.93670800 -0.40648800 H -4.39392700 -0.75640700 1.46042700 H -4.01591700 -0.02286400 -1.08554600 H -3.15475600 -1.16357800 -2.12829600 H -3.14586100 4.15816000 0.82298500 H 0.59363100 3.72942800 -1.22360300 H -3.92110900 -2.38175400 1.93698700 O 0.76760600 -2.66351000 1.09603000 O 1.49902100 -2.25803400 -1.34420500 H 1.13515600 -3.48677800 0.76308000 H 0.76936300 -2.62076700 -1.84851200 1 2 1.0 8 2.0 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 1.0 9 10 1.0 13 1.0 39 1.5 40 1.5 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 41 1.0 40 42 1.0 41 42 tabs=373.15 Eps=2.19630 EpsInf=2.13189 surfacetensionatinterface=27.49 alpha=1.2