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

hg(ii)s2 (aqonoj)   7918 Hg(II)S2 (AQONOJ)

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    #  Species Formula
  7908 Mercury fluoride (Geo)FHg
  7909 Mercury fluorideFHg
  7910 Mercury difluoride (Geo)F2Hg
  7911 Mercury difluorideF2Hg
  7912 Ditrifluoromethyl mercury (Geo)C2F6Hg
  7913 Hg(II)P2 (KASDAJ) (Geo)C16H36P2Hg
  7914 Mercury sulfideSHg
  7915 Hg(II)S2N2 (ENHGTC10) (Geo)C4H6N4S2Hg
  7916 Hg(II)S2N2 (ENHGTC10)C4H6N4S2Hg
  7917 Hg(II)S2 (AQONOJ) (Geo)C4H6O4S2Hg
  7918 Hg(II)S2 (AQONOJ) C4H6O4S2Hg
  7919 Hg(II)S4 (HGETCB10) (Geo)C10H20N2S4Hg
  7920 Hg(II)S4 (HGETCB10)C10H20N2S4Hg
  7921 Hg(II)S4 (HGTHUR) (Geo)C4H8N6S4Hg
  7922 Hg(II)S4 (HGTHUR)C4H8N6S4Hg
  7923 Mercury chloride (Geo)ClHg
  7924 Mercury chlorideClHg
  7925 Methylmercuric chloride (Geo)CH3ClHg
  7926 Methylmercuric chlorideCH3ClHg
  7927 Ethylmercuric chlorideC2H5ClHg
  7928 n-Propylmercuric chlorideC3H7ClHg


ΔHf: -163.8 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
Hg(II)S2 (AQONOJ)
 H=-163.8 HR=PW91D
 Hg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.35893281 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.68358270 +1  139.0222882 +1    0.0000000 +0     2     1     0
  O     1.19778954 +1  126.1934037 +1  100.2165865 +1     3     2     1
  C     1.50602397 +1   40.8825546 +1 -105.0511262 +1     3     2     4
  O     1.36040288 +1  101.7103538 +1 -117.2944083 +1     3     2     5
  H     1.10575882 +1  111.1466406 +1 -122.7219583 +1     5     3     2
  H     1.11199579 +1  108.8333249 +1 -116.7414414 +1     5     3     7
  H     0.98168772 +1  115.8988013 +1   31.8777196 +1     6     3     2
  S     2.35821969 +1  160.2097386 +1 -170.0920079 +1     1     3     2
  C     1.83214557 +1  106.6182206 +1 -145.3325395 +1    10     1     7
  C     1.50623563 +1  106.6634638 +1  179.1590583 +1    11    10     1
  O     1.19775698 +1  125.7310359 +1 -104.7660896 +1    12    11    10
  O     1.36026811 +1  116.5083421 +1 -176.9698544 +1    12    11    13
  H     0.98139080 +1  115.9272164 +1  -10.7121237 +1    14    12    11
  H     1.10604874 +1  112.5893500 +1  122.1248305 +1    11    10    12
  H     1.11225636 +1  111.3287457 +1  119.1938181 +1    11    10    16