%nprocshared=12
%mem=23GB
%chk=I2_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

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0 1
 Si             
 O                  1            B1
 O                  2            B2    1            A1
 C                  2            B3    1            A2    3            D1    0
 C                  3            B4    2            A3    1            D2    0
 H                  4            B5    2            A4    1            D3    0
 H                  5            B6    3            A5    2            D4    0
 Cl                 1            B7    2            A6    4            D5    0
 C                  1            B8    2            A7    4            D6    0
 C                  9            B9    1            A8    2            D7    0
 C                  9           B10    1            A9    2            D8    0
 C                 10           B11    9           A10    1            D9    0
 H                 10           B12    9           A11    1           D10    0
 C                 11           B13    9           A12    1           D11    0
 H                 11           B14    9           A13    1           D12    0
 C                 12           B15   10           A14    9           D13    0
 H                 12           B16   10           A15    9           D14    0
 H                 14           B17   11           A16    9           D15    0
 H                 16           B18   12           A17   10           D16    0

   B1             1.63227276
   B2             2.84270260
   B3             1.47211792
   B4             1.20946251
   B5             1.09231700
   B6             1.11144703
   B7             2.03852253
   B8             1.82702930
   B9             1.39957174
   B10            1.39674254
   B11            1.38628762
   B12            1.08271808
   B13            1.38560988
   B14            1.08344877
   B15            1.38792264
   B16            1.08236108
   B17            1.08168216
   B18            1.08222777
   A1            93.86581774
   A2            71.76631313
   A3            61.38759005
   A4           114.36084210
   A5           121.16471800
   A6           116.72297432
   A7           119.25834838
   A8           118.19415518
   A9           122.13860691
   A10          119.89315813
   A11          119.88045368
   A12          120.11368095
   A13          120.32612033
   A14          120.05418313
   A15          119.79422768
   A16          119.91142652
   A17          119.85494959
   D1            52.96546584
   D2            70.35138726
   D3           110.19114023
   D4           177.28017591
   D5          -104.14851351
   D6           115.39806964
   D7           -20.00599693
   D8           161.29803868
   D9          -178.55315087
   D10            0.74139788
   D11          178.23605002
   D12           -2.02981067
   D13            0.28069189
   D14          179.57360237
   D15         -179.52627032
   D16          179.14247151

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

alpha=1.2

--Link1--
%nprocshared=12
%mem=23GB
%chk=I2_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

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alpha=1.2


