%nprocshared=24
%mem=123GB
%chk=I1_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             
 Cl                 1            B1
 C                  1            B2    2            A1
 C                  3            B3    1            A2    2            D1    0
 C                  3            B4    1            A3    4            D2    0
 C                  4            B5    3            A4    1            D3    0
 H                  4            B6    3            A5    1            D4    0
 C                  5            B7    3            A6    1            D5    0
 H                  5            B8    3            A7    1            D6    0
 C                  6            B9    4            A8    3            D7    0
 H                  6           B10    4            A9    3            D8    0
 H                  8           B11    5           A10    3            D9    0
 H                 10           B12    6           A11    4           D10    0

   B1             2.08873179
   B2             1.86080291
   B3             1.40391292
   B4             1.40179470
   B5             1.38783255
   B6             1.08659054
   B7             1.38276985
   B8             1.08325526
   B9             1.38672078
   B10            1.08205581
   B11            1.08244505
   B12            1.08291499
   A1           102.43503133
   A2           113.79709967
   A3           127.59633356
   A4           120.81352423
   A5           120.24254661
   A6           120.58981696
   A7           119.68299329
   A8           119.57317199
   A9           120.11497953
   A10          120.13023902
   A11          119.80979787
   D1           178.87917911
   D2           179.88979502
   D3           179.98768631
   D4            -0.02058556
   D5          -179.90195606
   D6             0.08200102
   D7            -0.09775693
   D8           179.96076037
   D9           179.96495552
   D10         -179.93543859

 1 2 1.0 3 1.0
 2
 3 4 1.5 5 1.5
 4 6 1.5 7 1.0
 5 8 2.0 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

alpha=1.2

--Link1--
%nprocshared=24
%mem=123GB
%chk=I1_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


