Accuracy

b10h14r     44 B10H14 (Geo)

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    #  Species Formula
    34 Diborane (Geo)H6B2
    35 DiboraneH6B2
    36 B4H10 (Geo)H10B4
    37 Tetraborane(10)H10B4
    38 B5H9 (Geo)H9B5
    39 Pentaborane(9)H9B5
    40 B5H11 (Geo)H11B5
    41 Pentaborane(11)H11B5
    42 B6H10 (Geo)H10B6
    43 Hexaborane(10)H10B6
    44 B10H14 (Geo) H14B10
    45 Decaborane(14)H14B10
    46 Carbon, cationC
    47 Carbon, atomC
    48 MethylidyneHC
    49 Methylene, singlet (Geo)CH2
    50 Methylene, triplet (Geo)CH2
    51 Methylene, singletCH2
    52 Methylene, tripletCH2
    53 Methyl, cationCH3
    54 Methane (Geo)CH4


REF: E. A. Laws, R. M. Stevens, W. N. Lipscomb, J. Am. Chem. Soc., 94, 4461 (1972).
  
 GNORM=0.01 DCART SYMMETRY EXT ERNAL=M:\MD\ELEMENTS\00_BIO\PARAMS.TXT PM7
B10H14
 <B3-B1> <B2-B1><> <B5-B2><><> <B6-B2><><> <B8-B7> GR=LSL1972
 
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  B     1.78900000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  B     1.77600000 +1   60.3814686 +1    0.0000000 +0     2     1     0
  B     1.73500000 +1  107.9442551 +1 -111.8916629 +1     1     2     3
  B     1.72000000 +1  111.4130016 +1  102.9253702 +1     3     2     1
  B     1.97300000 +1   56.7510857 +1  101.8853963 +1     4     1     2
  B     1.80707839 +1  109.5316941 +1   -8.0744482 +1     4     1     2
  B     1.78468729 +1   62.2478216 +1   30.9790148 +1     5     3     2
  B     1.75873383 +1   61.3130961 +1  -32.2807127 +1     7     4     1
  B     1.78997043 +1  104.2024427 +1   13.7297619 +1     7     4     1
  H     1.38566639 +1  145.2131914 +1  -37.8897090 +1     6     1     2
  H     1.38566639 +0  145.2131914 +0   37.8897090 +0     8     2     1
  H     1.38566639 +0  145.2131914 +0   37.8897090 +0     4     1     2
  H     1.38566639 +0  145.2131914 +0  -37.8897090 +0    10     2     1
  H     1.21940129 +1  119.8393597 +1  180.0000000 +0     5     3     9
  H     1.21940129 +0  119.8393597 +0  180.0000000 +0     7     9     3
  H     1.22193222 +1  125.9534078 +1 -108.2169824 +1     6     5     3
  H     1.22193222 +0  125.9534078 +0  108.2169824 +0     8     5     3
  H     1.22193222 +0  125.9534078 +0  108.2169824 +0     4     7     9
  H     1.22193222 +0  125.9534078 +0 -108.2169824 +0    10     7     9
  H     1.22658595 +1  124.4820183 +1 -103.6390884 +1     2     1     3
  H     1.22658595 +0  124.4820183 +0  103.6390884 +0     1     2     3
  H     1.22075771 +1  120.9173381 +1  180.0000000 +0     9     7     5
  H     1.22075771 +0  120.9173381 +0  180.0000000 +0     3     5     7
 
  11  1   12   13   14
  11  2   12   13   14
  11  3   14
  11 14   12   13
  15  1   16
  15  2   16
  17  1   18   19   20
  17  2   18   19   20
  17 14   18   19
  17  3   20
  21  1   22
  21  2   22
  21 14   22
  23  1   24
  23  2   24