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

sulfur, cation   2048 Sulfur, cation

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  2038 Methyl triphosphate anionCH6O10P3
  2039 Methyl triphosphate (Geo)CH7O10P3
  2040 Methyl triphosphateCH7O10P3
  2041 Phosphorus tetramer (Geo)P4
  2042 Phosphorus, tetramerP4
  2043 Phosphorus trioxide (Geo)O6P4
  2044 Phosphorus trioxideO6P4
  2045 Phosphorus pentoxide (Geo)O10P4
  2046 Phosphorus pentoxideO10P4
  2047 Mg(II)O6(2-) (FAPSIY) (Geo)C4H16O16MgP4
  2048 Sulfur, cation S
  2049 Sulfur, atomS
  2050 Sulfur, anionS
  2051 Hydrogen sulfide (HS)HS
  2052 Hydrogen sulfide, anionHS
  2053 Hydrogen sulfide (Geo)H2S
  2054 Hydrogen sulfide (H2S)H2S
  2055 Beryllium sulfide (Geo)BeS
  2056 Boron sulfideBS
  2057 S=B-H (Geo)HBS
  2058 Carbon sulfideCS


ΔHf: 305.3 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.
  
 CHARGE=1 OPEN(3,3) SCFCRT=1.D-3 PM7
Sulfur, cation
 HR=NIST H=305.3
  S     0.00000000 +0   0.00000000 +0   0.00000000 +0