PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

sio4n (bojler)   1907 SiO4N (BOJLER)

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    #  Species Formula
  1897 SiC4 (BAWNUI) (Geo)C4H9NSi
  1898 SiC4 (BAWNUI)C4H9NSi
  1899 SiC3N(+) (CASKIQ) (Geo)C8H14NSi
  1900 SiC3N(+) (CASKIQ)C8H14NSi
  1901 Trimethylsilicon hydroxideC3H10OSi
  1902 Silicon dioxideO2Si
  1903 SiH3O (BAHTAF) (Geo)C2H6O2Si
  1904 SiH3O (BAHTAF)C2H6O2Si
  1905 Si(OH)4H4O4Si
  1906 SiO4N (BOJLER) (Geo)C6H13NO4Si
  1907 SiO4N (BOJLER) C6H13NO4Si
  1908 Silicon fluorideFSi
  1909 FluorosilaneH3FSi
  1910 Silyl fluoride (Geo)H3FSi
  1911 CH3-SiH2F (Geo)CH5FSi
  1912 SiMe4F, anionC4H12FSi
  1913 Difluorosilylene (Geo)F2Si
  1914 Silicon difluorideF2Si
  1915 DifluorosilaneH2F2Si
  1916 SiOF2OF2Si
  1917 TrifluorosilylF3Si


ΔHf: -263.4 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
SiO4N (BOJLER)
 H=-263.4 HR=PW91D
 Si     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.67896625 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.66881885 +1   96.0038986 +1    0.0000000 +0     1     2     0
  N     2.11221289 +1   81.5483491 +1  179.6889925 +1     1     3     2
  O     1.64141752 +1   96.2532543 +1  119.6534221 +1     1     2     3
  C     1.49445888 +1  106.4819253 +1  133.1792081 +1     4     1     5
  C     1.56062991 +1  106.1189722 +1  -24.0141245 +1     6     4     1
  O     1.39085073 +1  110.9828857 +1   28.6171382 +1     7     6     4
  C     1.41129141 +1  112.1014981 +1   -0.3643517 +1     2     1     3
  C     1.40976877 +1  113.3509331 +1    0.4364468 +1     3     1     2
  H     2.16604729 +1  128.1365877 +1 -141.8643874 +1     4     1     6
  H     1.78069322 +1   65.6506881 +1   81.2958778 +1    11     4     1
  H     2.00163554 +1  142.9289987 +1  146.2563394 +1     5     1     2
  H     1.80894288 +1   63.8587103 +1  105.7429012 +1    13     5     1
  H     1.10540214 +1  113.1170156 +1 -122.2433818 +1     6     4     7
  H     1.11248022 +1  109.5624809 +1 -119.1137886 +1     6     4    15
  H     1.10962913 +1  111.5529705 +1 -120.9124629 +1     7     6     8
  H     1.11026709 +1  111.0573871 +1 -122.0002532 +1     7     6    17
  H     1.10882374 +1  106.4163075 +1  122.0028894 +1     9     2     1
  H     1.10876548 +1  106.4579930 +1  116.2262767 +1     9     2    19
  H     1.10755093 +1  106.8117387 +1  121.2399379 +1    10     3     1
  H     1.10753025 +1  106.7490799 +1  116.6962832 +1    10     3    21
  H     1.03732631 +1  110.5115060 +1  -98.3623926 +1     4     1    11
  C     1.11046127 +1   36.4778740 +1  -36.6294003 +1    12    11     4
  C     1.11062009 +1   35.4359779 +1  -42.2178648 +1    14    13     5