Accuracy

sic3n(plus) (caskiq)   1898 SiC3N(+) (CASKIQ)

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    #  Species Formula
  1888 TetramethylsilaneC4H12Si
  1889 1,1-DimethylsilacyclobutaneC5H12Si
  1890 TriethylsilaneC6H16Si
  1891 SiC4(-) (FOGMET) (Geo)C8H13Si
  1892 SiC4(-) (FOGMET)C8H13Si
  1893 TetraethylsilaneC8H20Si
  1894 Silicon nitride (Geo)NSi
  1895 SiC4 (BAWNUI) (Geo)C4H9NSi
  1896 SiC4 (BAWNUI)C4H9NSi
  1897 SiC3N(+) (CASKIQ) (Geo)C8H14NSi
  1898 SiC3N(+) (CASKIQ) C8H14NSi
  1899 Trimethylsilicon hydroxideC3H10OSi
  1900 Silicon dioxideO2Si
  1901 SiH3O (BAHTAF) (Geo)C2H6O2Si
  1902 SiH3O (BAHTAF)C2H6O2Si
  1903 Si(OH)4H4O4Si
  1904 SiO4N (BOJLER) (Geo)C6H13NO4Si
  1905 SiO4N (BOJLER)C6H13NO4Si
  1906 Silicon fluorideFSi
  1907 FluorosilaneH3FSi
  1908 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