%nprocshared=12
%mem=23GB
%chk=Theosilane_Synth2NH3.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                -0.01225300   -0.15111900   -0.22151700
 C                  1.56486200   -0.09224200   -1.17036300
 C                  1.49049800   -0.10409100   -2.56726400
 C                  2.82227900   -0.06819300   -0.56638000
 C                  2.64262700   -0.09388500   -3.33805200
 C                  3.97664300   -0.05984100   -1.33666700
 C                  3.88686000   -0.07289400   -2.72123100
 H                  0.52352600   -0.11204700   -3.05809100
 H                  2.90270600   -0.05237100    0.51356700
 H                  2.57164300   -0.09948400   -4.41810700
 H                  4.94621100   -0.04061500   -0.85591300
 H                  4.78770100   -0.06349100   -3.32171500
 O                 -0.84108100   -1.56892800   -0.27898400
 O                 -1.17262400    0.81231300   -0.87145100
 C                 -2.10972500   -1.36871300   -0.90595900
 C                 -2.42611400    0.12709000   -0.80051900
 H                 -2.04238000   -1.68180000   -1.95100700
 H                 -2.85902100   -1.97811100   -0.40167500
 H                 -3.06369800    0.46949000   -1.61437200
 H                 -2.90987400    0.35859400    0.15220000
 H                  0.25807257    0.18376074    1.18407172

 1 2 1.0 13 2.0 14 2.0 21 1.0
 2 3 1.5 4 1.5
 3 5 1.5 8 1.0
 4 6 1.5 9 1.0
 5 7 1.5 10 1.0
 6 7 1.5 11 1.0
 7 12 1.0
 8
 9
 10
 11
 12
 13 15 1.0
 14 16 1.0
 15 16 1.0 17 1.0 18 1.0
 16 19 1.0 20 1.0
 17
 18
 19
 20
 21

alpha=1.2

--Link1--
%nprocshared=12
%mem=23GB
%chk=Theosilane_Synth2NH3.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

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0 1

alpha=1.2


