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

di-n-propylmercury   7892 Di-n-propylmercury

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    #  Species Formula
  7882 (Au(CH3)2(CN))4 (Geo)C12H24N4Au4
  7883 Mercury, dicationHg
  7884 Mercury, cationHg
  7885 Mercury, atomHg
  7886 Mercury hydride (Geo)HHg
  7887 Mercury hydrideHHg
  7888 MethylmercuryCH3Hg
  7889 Dimethylmercury, cationC2H6Hg
  7890 DimethylmercuryC2H6Hg
  7891 DiethylmercuryC4H10Hg
  7892 Di-n-propylmercury C6H14Hg
  7893 DiisopropylmercuryC6H14Hg
  7894 DiphenylmercuryC12H10Hg
  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


ΔHf: 8.2 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 8.3 eV,     REF: Tl. P. Fahler, J. Ulman, W. A. Nugent, J. K. Kochi, Inorg. Chem. 15, 2544 (1976).
  
 PM7
Di-n-propylmercury
 H=8.2 HR=C&P1970 I=8.29 IR=FUNK1976
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53477313 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.52969533 +1  109.9567478 +1    0.0000000 +0     2     1     0
 Hg     2.09109196 +1  114.2393770 +1 -179.9622661 +1     3     2     1
  C     2.09104715 +1  179.7383795 +1   19.9884267 +1     4     3     2
  C     1.53011124 +1  114.5102299 +1 -179.6056328 +1     5     4     2
  C     1.53475282 +1  109.8859579 +1 -179.5626968 +1     6     5     4
  H     1.09492497 +1  111.1697786 +1 -179.6821134 +1     7     6     5
  H     1.09515306 +1  111.3826013 +1   60.3751519 +1     7     6     5
  H     1.09519089 +1  111.3833968 +1  -59.7401174 +1     7     6     5
  H     1.10716545 +1  111.3332981 +1   59.5829038 +1     6     5     4
  H     1.10707653 +1  111.3911778 +1  -58.6579524 +1     6     5     4
  H     1.10725953 +1  108.7528500 +1  146.7137533 +1     5     4    12
  H     1.10722946 +1  108.6919865 +1  -98.7951489 +1     5     4    12
  H     1.10729602 +1  109.5836109 +1   57.7053536 +1     3     2     1
  H     1.10728772 +1  109.5831718 +1  -57.5830817 +1     3     2     1
  H     1.10725735 +1  111.3443683 +1   59.2090259 +1     2     3     4
  H     1.10722330 +1  111.3675778 +1  -59.0475823 +1     2     3     4
  H     1.09491915 +1  111.1580038 +1 -179.8039818 +1     1     2     3
  H     1.09516821 +1  111.3872732 +1   60.2641720 +1     1     2     3
  H     1.09518652 +1  111.3965119 +1  -59.8641055 +1     1     2     3