The SIG-JK program. Revision 2.10 Copyright (c) S.I.Gorelsky, 1999-2004.
 This software is provided under written license and
 may be used,copied, or stored only in accord with it.
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 Use of this program should be acknowledged in publications as:
 1. S.I.Gorelsky, SIG-JK Program, http://www.sg-chem.net/sig-jk/
 2. S.I.Gorelsky,A.B.P.Lever, Can. J. Anal. Sci. & Spectr.(2003)48: 93-105.
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 Created Tue Jul 13 18:07:10 2004
 
 Orbital energy differences, Coulomb and exchange integrals (1000 cm-1)
 ------------------------------------------------------
    Excitation       E(a)-E(d)   J(d,a)    K(d,a)
 ------------------------------------------------------
 HOMO- 0-> LUMO+ 0     43.47     36.14      2.33
 HOMO- 0-> LUMO+ 1     51.74     27.06      0.34
 HOMO- 0-> LUMO+ 2     52.20     27.34      0.66
 HOMO- 1-> LUMO+ 0     44.32     37.20      8.27
 HOMO- 1-> LUMO+ 1     52.58     25.99      0.94
 HOMO- 1-> LUMO+ 2     53.05     25.97      0.37
 HOMO- 2-> LUMO+ 0     44.68     33.63      0.84
 HOMO- 2-> LUMO+ 1     52.95     28.83      0.73
 HOMO- 2-> LUMO+ 2     53.41     29.20      1.46
 HOMO- 3-> LUMO+ 0     52.28     21.97      0.19
 HOMO- 3-> LUMO+ 1     60.55     27.93      2.05
 HOMO- 3-> LUMO+ 2     61.01     27.99      2.29
 HOMO- 4-> LUMO+ 0     52.52     23.78      0.64
 HOMO- 4-> LUMO+ 1     60.79     26.94      2.03
 HOMO- 4-> LUMO+ 2     61.25     26.96      1.84
 HOMO- 5-> LUMO+ 0     53.68     33.25      2.79
 HOMO- 5-> LUMO+ 1     61.95     21.67      0.44
 HOMO- 5-> LUMO+ 2     62.41     21.65      0.41