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27 Boron, 4S(u) - 2s(0)2p(3)

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  #           Species Formula
  17 Beryllium hydride (Geo)HBe
  18 Beryllium hydrideHBe
  19 Beryllium dihydrideH2Be
  20 LiBeH (Geo)HLiBe
  21 Lithium beryllium hydrideHLiBe
  22 Beryllium, dimerBe2
  23 Boron, cationB
  24 Boron, 2D(g) - 2s(1)2p(2)B
  25 Boron, 2P(u) - 2s(2)2p(1)B
  26 Boron, 4P(g) - 2s(1)2p(2)B
  27 Boron, 4S(u) - 2s(0)2p(3) B
  28 Boron, atomB
  29 BH (Geo)HB
  30 Borane(1)HB
  31 BH2 (Geo)H2B
  32 Borane(2)H2B
  33 BoraneH3B
  34 Boron dimer (Geo)B2
  35 Boron dimerB2
  36 B2H4 (C2v) (Geo)H4B2
  37 Diborane(4)H4B2



For electronic state 1,4,S(U)
DHf: 276.7 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.

  
 OPEN(3,4) MECI
Boron, 4S(u) - 2s(0)2p(3)
 HR=NIST H=276.7 ROOT=1,4,S(U) HWT=0.2
  B         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000