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

silicon, 5s(u) 3s(1)3p(3)   1867 Silicon, 5S(u) 3s(1)3p(3)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  1857 Dialuminum oxide, cationOAl2
  1858 Al2O (Geo)OAl2
  1859 Dialuminum oxideOAl2
  1860 Al2O2, cationO2Al2
  1861 Aluminum oxide, dimerO2Al2
  1862 Aluminum trifluoride, dimerF6Al2
  1863 Silicon, cationSi
  1864 Silicon, 1D(g) 3s(2)3p(2)Si
  1865 Silicon, 1S(g) 3s(2)3p(2)Si
  1866 Silicon, 3D(u) 3s(1)3p(3)Si
  1867 Silicon, 5S(u) 3s(1)3p(3) Si
  1868 Silicon, atomSi
  1869 SiHHSi
  1870 SiH (Geo)HSi
  1871 Silylene (singlet) (Geo)H2Si
  1872 Silylene (singlet)H2Si
  1873 Silyl, cationH3Si
  1874 SilylH3Si
  1875 Silyl, anionH3Si
  1876 Silane (Geo)H4Si
  1877 SilaneH4Si


For electronic state 1,5,S(U)
ΔHf: 95.2 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 OPEN(4,4) MECI ROOT=24 PM7
Silicon, 5S(u) 3s(1)3p(3)
 HR=NIST H=95.2 ROOT=1,5,S(U)
 Si     0.00000000 +0   0.00000000 +0   0.00000000 +0