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

sic3n(plus) (caskiq)   1900 SiC3N(+) (CASKIQ)

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    #  Species Formula
  1890 TetramethylsilaneC4H12Si
  1891 1,1-DimethylsilacyclobutaneC5H12Si
  1892 TriethylsilaneC6H16Si
  1893 SiC4(-) (FOGMET) (Geo)C8H13Si
  1894 SiC4(-) (FOGMET)C8H13Si
  1895 TetraethylsilaneC8H20Si
  1896 Silicon nitride (Geo)NSi
  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


ΔHf: 123.9 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.
  
 CHARGE=1 PM7
SiC3N(+) (CASKIQ)
 H=123.9 HR=PW91D
 Si     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.87939572 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.84716556 +1  106.6358411 +1    0.0000000 +0     1     2     0
  H     2.14185747 +1   92.7517657 +1  -55.1492479 +1     2     1     3
  C     1.84646631 +1  106.4701984 +1  120.0903091 +1     1     2     3
  C     1.84731165 +1  108.3560446 +1  120.0153502 +1     1     2     5
  C     1.36714149 +1  121.9070567 +1 -179.6911680 +1     2     1     4
  C     1.39525153 +1  121.6081975 +1  179.3853107 +1     7     2     1
  C     1.39288169 +1  119.8844034 +1   -0.0948481 +1     8     7     2
  C     1.39414398 +1  118.5242549 +1    0.0642343 +1     9     8     7
  C     1.10775506 +1   33.9153418 +1 -179.3043784 +1     4     2     1
  H     1.11512959 +1  111.0946792 +1 -173.6574404 +1     3     1     2
  H     1.10830350 +1  113.4963736 +1 -119.2175420 +1     3     1    12
  H     1.11027904 +1  112.6754943 +1 -122.3132111 +1     3     1    13
  H     1.11500973 +1  111.1791418 +1  176.6165517 +1     5     1     2
  H     1.11039386 +1  112.6432747 +1 -118.5777788 +1     5     1    15
  H     1.10841726 +1  113.4339120 +1 -122.0992163 +1     5     1    16
  H     1.11629453 +1  110.6368904 +1  178.0595466 +1     6     1     2
  H     1.10907504 +1  113.3484888 +1  118.2509611 +1     6     1    18
  H     1.10922303 +1  113.2681592 +1  123.5736183 +1     6     1    19
  H     1.10710121 +1  119.2666086 +1  179.9657868 +1     7     2     8
  H     1.09772774 +1  119.5335427 +1 -179.9572360 +1     8     7     9
  H     1.09852508 +1  120.7661464 +1  179.9924997 +1     9     8    10
  H     1.09761538 +1  120.5427548 +1  179.9890342 +1    10     9     8