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

pentaborane(11)     41 Pentaborane(11)

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    #  Species Formula
    31 Boron dimerB2
    32 B2H4 (C2v) (Geo)H4B2
    33 Diborane(4)H4B2
    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


ΔHf: 24.3 kcal/mol,     REF: M. F. Guest, J. B. Pedley, M. Horn, J. Chem. Thermodyn., 1, 345 (1969).
I.P.: 10.7 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.
  
 SYMMETRY PM7
Pentaborane(11)
 H=24.3 HR=GPH1969 I=10.7 IR=LLNBS82 S=76.72 CP=31.14
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  B     1.84210876 +1    0.0000000 +0    0.0000000 +0     1     0     0
  B     1.76944453 +1   58.8623517 +1    0.0000000 +0     2     1     0
  B     1.76944453 +0   61.0640909 +1 -146.6139135 +1     2     3     1
  B     1.84210876 +0   58.8623517 +0 -139.8230203 +1     2     4     3
  H     1.44444538 +1   47.7384844 +1  163.1516619 +1     1     3     2
  H     1.44444538 +0   47.7384844 +0 -136.4527097 +1     5     4     3
  H     1.41614105 +1   49.0616427 +1  128.3983564 +1     3     4     5
  H     1.25546153 +1  142.1413641 +1   94.6996520 +1     2     3     4
  H     1.21730427 +1  116.5724657 +1 -111.2857452 +1     2     3     4
  H     1.25546153 +0  126.5583130 +1  149.1334658 +1     5     4     3
  H     1.21730427 +0  133.2447513 +1  -76.8577275 +1     5     4     3
  H     1.19924667 +1  138.8537861 +1   62.1022020 +1     1     3     4
  H     1.19924667 +0  126.9922268 +1 -140.5772809 +1     1     3     4
  H     1.22184881 +1  116.7642768 +1 -145.5025789 +1     3     4     5
  H     1.22203332 +1  117.4669389 +1  107.8102049 +1     4     3     2