%nprocshared=12 %mem=23GB %chk=Silylene_SynthNH3.chk #p opt=maxcyc=300 rm062x/def2tzvp scrf=(solvent=toluene,read,smd) pop=(nbo,savenbos) int=grid=ultrafine scf=(save,xqc) empiricaldispersion=gd3 geom=connectivity nosymm Title Card Required 0 1 Si -0.79918200 0.26067700 -1.13365700 Cl -1.43008500 2.13553800 -0.22279800 C 0.98406900 0.15794100 -0.42521700 C 1.80773900 -0.82446500 -0.98572400 C 1.54693100 0.98804100 0.54916400 C 3.12521500 -0.99497200 -0.57672700 H 1.41356600 -1.47337500 -1.76360200 C 2.86504900 0.83358300 0.95717300 H 0.94322700 1.76892400 0.99763200 C 3.65679700 -0.16261000 0.39802500 H 3.73663400 -1.76903000 -1.02340300 H 3.27761300 1.48956800 1.71388200 H 4.68424600 -0.28432100 0.71683600 N -1.63931000 -0.89013300 0.30039900 C -1.24298500 -2.28270000 -0.00227100 H -0.16838000 -2.39229700 0.13124600 H -1.76116400 -2.96519400 0.67351500 H -1.50870000 -2.52165000 -1.03145400 C -1.25823800 -0.57789200 1.69347000 H -1.49372800 0.46154500 1.91031500 H -1.81285500 -1.22700000 2.37453700 H -0.19200300 -0.74512700 1.82453100 C -3.10820200 -0.77440300 0.16511200 H -3.59316300 -1.48036300 0.84161000 H -3.41404300 0.23931700 0.41368200 H -3.39434000 -0.99881500 -0.86137500 1 2 1.0 3 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 1.0 19 1.0 23 1.0 15 16 1.0 17 1.0 18 1.0 16 17 18 19 20 1.0 21 1.0 22 1.0 20 21 22 23 24 1.0 25 1.0 26 1.0 24 25 26 alpha=1.2 --Link1-- %nprocshared=12 %mem=23GB %chk=Silylene_SynthNH3.chk #p freq=noraman rm062x/def2tzvp scrf=(solvent=toluene,read,smd) pop=(nbo,savenbos) int=grid=ultrafine scf=(save,xqc) empiricaldispersion=gd3 geom=check guess=(read,save) nosymm Title Card Required 0 1 alpha=1.2