pentaborane(9)

pentaborane(9) 39 Pentaborane(9)

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#	Species	Formula
29	Borane	H3B
30	Boron dimer (Geo)	B2
31	Boron dimer	B2
32	B2H4 (C2v) (Geo)	H4B2
33	Diborane(4)	H4B2
34	Diborane (Geo)	H6B2
35	Diborane	H6B2
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, cation	C
47	Carbon, atom	C
48	Methylidyne	HC
49	Methylene, singlet (Geo)	CH2

ΔH_f: 17.5 kcal/mol, REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
I.P.: 10.5 eV, REF: D. R. Lloyd, N. Lynaugh, P. J. Roberts, M. F. Guest, J. Chem. Soc. Faraday Trans. 1, 1382 (1975).

  
 PM7
Pentaborane(9)
 H=17.5 HR=WEPS1982 DR=2.13 DR=HM1954 I=10.52 IR=LLRG1975 S=67.07 CP=23.80
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  B     1.20134990 +1    0.0000000 +0    0.0000000 +0     1     0     0
  B     1.73877592 +1  132.4482022 +1    0.0000000 +0     2     1     0
  B     1.73654342 +1  133.3197804 +1 -179.2162590 +1     2     1     3
  B     1.73617772 +1  133.2474216 +1   89.9456391 +1     2     1     3
  B     1.73727689 +1  132.4622836 +1  -89.1599542 +1     2     1     3
  H     1.40629840 +1  108.5147234 +1  118.5363605 +1     3     2     1
  H     1.40650963 +1  108.5207258 +1  118.5813817 +1     5     2     1
  H     1.40594260 +1  108.5588890 +1 -118.6566793 +1     6     2     1
  H     1.40656369 +1  108.5929232 +1  117.4049086 +1     6     2     1
  H     1.21217966 +1  119.5379510 +1   -0.7235518 +1     6     2     1
  H     1.21206509 +1  119.4573992 +1    0.7024718 +1     3     2     1
  H     1.21198944 +1  119.6373749 +1    0.6709277 +1     5     2     1
  H     1.21213790 +1  119.5936989 +1   -0.5379037 +1     4     2     1