Accuracy

b2h5clr   2329 Chlorodiborane (Geo)

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    #  Species Formula
  2319 Chloride, anionCl
  2320 Hydrogen chloride (Geo)HCl
  2321 Hydrogen chlorideHCl
  2322 Helium chloride anion (Geo)HeCl
  2323 Lithium chloride (Geo)LiCl
  2324 Lithium chlorideLiCl
  2325 Beryllium chlorideBeCl
  2326 Boron chlorideBCl
  2327 BH2ClH2BCl
  2328 BH2Cl (Geo)H2BCl
  2329 Chlorodiborane (Geo) H5B2Cl
  2330 ChloromethylidyneCCl
  2331 Chloromethylene (Geo)HCCl
  2332 ChloromethyleneHCCl
  2333 Chloromethane (Geo)CH3Cl
  2334 Methyl chlorideCH3Cl
  2335 CH3ClH(+)CH4Cl
  2336 Chloroacetylene (Geo)HC2Cl
  2337 ChloroacetyleneHC2Cl
  2338 ChloroethyleneC2H3Cl
  2339 Chloroethane (Geo)C2H5Cl


REF: J. H. Callomon, E. Hirota, T. Iijima, K. Kuchitsu, W. J. Lafferty, "Structure Data on Free Polyatomic Molecules," Landolt-Bornstein, New Series, Group II, Vol. 15, Springer, Berlin (1977).
  
 PM7
Chlorodiborane
 <BB> <BHb> <> <> <> <B-Cl> <B-B-Cl> GR=CHIK1986
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  B     1.77500000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.33100000 +1   53.1869191 +1    0.0000000 +0     2     1     0
  H     1.43375876 +1   48.5659546 +1  180.0000000 +0     1     2     3
 Cl     1.77500000 +1  120.9000000 +1   90.0000000 +0     1     2     3
  H     1.19902348 +1  114.7030715 +1  180.0000000 +0     1     5     2
  H     1.19436803 +1  132.2087803 +1   90.0000000 +0     2     1     3
  H     1.19570129 +1  131.6215191 +1  -90.0000000 +0     2     1     3