Back to Features of PM6

Individual Molecules (Home)

25 Boron, 2P(u) - 2s(2)2p(1)

(Previous)     (Back)     (Next)
     

  #           Species Formula
  15 Beryllium hydride, cation (Geo)HBe
  16 Beryllium hydride, cationHBe
  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



For electronic state 1,2,P(U)
DHf: 0.0 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, 2P(u) - 2s(2)2p(1)
 HR=NIST H=0.0000 ROOT=1,2,P(U) HWT=6
  B         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000