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

bromoethylene   4116 Bromoethylene

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    #  Species Formula
  4106 Hydrogen bromideHBr
  4107 Helium bromide anion (Geo)HeBr
  4108 Lithium bromide (Geo)LiBr
  4109 Lithium bromideLiBr
  4110 Beryllium bromideBeBr
  4111 Boron bromideBBr
  4112 BromomethaneCH3Br
  4113 Bromomethane (Geo)CH3Br
  4114 BromoacetyleneHC2Br
  4115 Bromoacetylene (Geo)HC2Br
  4116 Bromoethylene C2H3Br
  4117 BromoethaneC2H5Br
  4118 3-BromopropeneC3H5Br
  4119 1-BromopropaneC3H7Br
  4120 2-BromopropaneC3H7Br
  4121 BromobenzeneC6H5Br
  4122 1-BromonaphthaleneC10H7Br
  4123 2-BromonaphthaleneC10H7Br
  4124 1-Bromo-dodecaneC12H25Br
  4125 1-Bromo-hexadecaneC16H33Br
  4126 Cyanogen bromide (Geo)CNBr


ΔHf: 18.7 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 1.4 Debye,     REF: "CRC Handbook of Chemistry and Physics," 60th Edition, R. C. Weast, (Ed.), CRC Press, Boca Raton, FL, 1980.
I.P.: 9.9 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 PM7
Bromoethylene
 H=18.71 HR=C&P1970 D=1.42 I=9.9 IR=LLNBS82 DR=CRC
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.32512921 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.08147789 +1  126.8032058 +1    0.0000000 +0     2     1     0
  H     1.08396055 +1  122.7180710 +1    0.0000000 +0     1     2     3
  H     1.08208890 +1  125.2032110 +1  180.0000000 +0     1     2     3
 Br     1.89999694 +1  121.2490578 +1    0.0000000 +0     2     1     5