%nprocshared=8 %mem=24GB %chk=red1_m1T0_H25C22OSiP_m062xdef2tzvp_373diosmd.chk #p opt=(ts,calcfc,noeigentest) rm062x/def2tzvp scrf=(solvent=1,4-dioxane,smd,read) pop=(nbo,savenbos) geom=connectivity empiricaldispersion=gd3 int=grid=ultrafine scf=(save,xqc) temperature=373.15 Title Card Required 0 1 P -1.78315600 -0.87852000 -0.57358800 C -2.59257500 0.62170700 -0.01587700 C -3.72873300 0.54015600 0.78724100 C -2.08197400 1.86295500 -0.37991400 C -4.34973100 1.69817900 1.22545600 C -2.70826900 3.02008300 0.06040500 C -3.83836100 2.93769300 0.86079300 O -0.54458600 -0.57784900 -1.41514200 Si 1.10834700 0.05190400 -0.62739700 H 0.21306700 0.19175700 0.61696200 C -2.94917500 -1.91825000 -1.49319700 C -1.51037200 -2.04100700 0.79739600 C 1.86148900 1.79034300 -0.33537200 C 2.77079700 2.33550300 -1.24438400 C 1.54619600 2.54870500 0.79344600 C 3.35949800 3.57448200 -1.02884300 C 2.12280700 3.79269200 1.01845800 C 3.03449400 4.30672800 0.10603000 H 3.01985500 1.77462200 -2.13999300 H 0.83065500 2.15437200 1.50908600 H 4.06761900 3.97342900 -1.74533500 H 1.86256400 4.36258700 1.90260600 H 3.48679200 5.27628600 0.27559300 H -0.47637800 -2.38263900 0.69938000 H -1.60542400 -1.55423000 1.76652100 C -2.67778100 -3.33006200 -0.95673200 C -2.50128600 -3.19152200 0.55873900 H -4.32261800 3.84220400 1.20563100 H -4.12779800 -0.42571700 1.07964400 H -1.19393900 1.92666200 -0.99675700 H -3.48579300 -4.01372800 -1.21398700 H -1.75852100 -3.72055900 -1.40002200 H -3.46613400 -2.95569900 1.01556000 H -3.96709900 -1.60015400 -1.25576300 H -2.79292100 -1.80269700 -2.56443200 H -5.22946500 1.63503200 1.85227800 H -2.30605600 3.98511500 -0.21841800 C 2.16401600 -1.36730400 0.06462600 C 2.19176100 -1.64749900 1.43329500 C 2.95182100 -2.15914600 -0.77264200 C 2.97914000 -2.66746500 1.94988500 H 1.58322000 -1.04993500 2.10602500 C 3.73801100 -3.18823700 -0.26824100 H 2.94863100 -1.96321600 -1.83974900 C 3.75373400 -3.44296500 1.09601200 H 2.99059100 -2.86017100 3.01594700 H 4.34017100 -3.79045200 -0.93788600 H 4.36686500 -4.24249600 1.49344100 H 1.53932300 -0.02690100 -2.07081700 H -2.14306500 -4.11414600 1.01352300 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 38 1.0 49 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 50 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 tabs=373.15 Eps=2.07913 EpsInf=1.92280 surfacetensionatinterface=32.13 alpha=1.2 --Link1-- %nprocshared=8 %mem=24GB %chk=red1_m1T0_H25C22OSiP_m062xdef2tzvp_373diosmd.chk #p freq=noraman rm062x/def2tzvp scrf=(solvent=1,4-dioxane,smd,read) pop=(nbo,savenbos) empiricaldispersion=gd3 int=grid=ultrafine scf=(save,xqc) temperature=373.15 guess=(read,save) geom=check Title Card Required 0 1 tabs=373.15 Eps=2.07913 EpsInf=1.92280 surfacetensionatinterface=32.13 alpha=1.2