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

hg(ii)n2 (hgacam)   7905 Hg(II)N2 (HGACAM)

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    #  Species Formula
  7895 Methylmercuric cyanide (Geo)C2H3NHg
  7896 Methylmercuric cyanideC2H3NHg
  7897 Hg(CN)2 (Geo)C2N2Hg
  7898 Mercuric cyanideC2N2Hg
  7899 Mercury oxide (Geo)OHg
  7900 Hg(II)CN(+) (BAVMUG) (Geo)C9H12NOHg
  7901 Hg(II)CN(+) (BAVMUG)C9H12NOHg
  7902 Hg(II)C2 (BEGVEO) (Geo)C8H6O2Hg
  7903 Hg(II)C2 (BEGVEO)C8H6O2Hg
  7904 Hg(II)N2 (HGACAM) (Geo)C4H7N2O2Hg
  7905 Hg(II)N2 (HGACAM) C4H7N2O2Hg
  7906 Hg(II)O2 (HGACET10) (Geo)C4H6O4Hg
  7907 Hg(II)O2 (HGACET10)C4H6O4Hg
  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


ΔHf: -19.4 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)N2 (HGACAM)
 H=-19.4 HR=PW91D
 Hg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.11663304 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.06402059 +1   68.6294773 +1    0.0000000 +0     2     1     0
  N     2.13315408 +1  140.1617292 +1 -151.3526542 +1     1     3     2
  C     1.34630560 +1   98.4818179 +1 -117.9442792 +1     4     1     3
  C     1.49039570 +1  124.5902610 +1  179.9095809 +1     5     4     1
  O     1.25971567 +1  113.3570250 +1  179.9283078 +1     5     4     6
  H     2.89339951 +1   76.9994631 +1 -160.2105995 +1     3     2     1
  H     1.77277645 +1   65.6904654 +1 -102.8661184 +1     8     3     2
  H     1.77909625 +1   87.9256474 +1   58.1269125 +1     8     3     9
  H     0.99329726 +1  135.6969578 +1  179.0246433 +1     4     1     5
  H     1.09953976 +1  111.6666690 +1   62.5011321 +1     6     5     4
  H     1.09929349 +1  111.8628007 +1 -121.2246480 +1     6     5    12
  H     1.10413568 +1  110.7061716 +1 -119.4799322 +1     6     5    13
  C     1.29908811 +1  106.2580902 +1    0.9054554 +1     2     1     3
  C     1.10394359 +1   55.6053397 +1  -17.4568936 +1     8     3    10