输出:
------
Excited state symmetry could not be determined.
Excited State 1: 2.000-?Sym 10.2065 eV 121.48 nm f=0.0000 <S**2>=0.750
1A -> 2A 0.92027
1A -> 6A 0.38548
This state for optimization and/or second-order correction.
Total Energy, E(CIS/TDA) = -0.124917460183
Copying the excited state density for this state as the 1-particle RhoCI density.
Excited state symmetry could not be determined.
Excited State 2: 2.000-?Sym 10.5384 eV 117.65 nm f=0.1887 <S**2>=0.750
1A -> 3A 0.82930
1A -> 4A 0.12433
1A -> 5A 0.50978
1A -> 13A 0.14437
1A -> 14A 0.12446
Excited state symmetry could not be determined.
Excited State 3: 2.000-?Sym 10.5384 eV 117.65 nm f=0.1887 <S**2>=0.750
1A -> 3A -0.52109
1A -> 5A 0.82743
1A -> 13A -0.11020
1A -> 14A 0.14069
Excited state symmetry could not be determined.
Excited State 4: 2.000-?Sym 10.5384 eV 117.65 nm f=0.1887 <S**2>=0.750
1A -> 4A 0.96991
1A -> 5A -0.13616
1A -> 12A 0.17725
Excited state symmetry could not be determined.
Excited State 5: 2.000-?Sym 13.5654 eV 91.40 nm f=0.0000 <S**2>=0.750
1A -> 2A -0.39126
1A -> 6A 0.90712
1A -> 15A 0.15460
Excited state symmetry could not be determined.
Excited State 6: 2.000-?Sym 17.0928 eV 72.54 nm f=0.0000 <S**2>=0.750
1A -> 7A 0.34988
1A -> 8A 0.38351
1A -> 9A -0.81269
1A -> 10A 0.24050
Excited state symmetry could not be determined.
Excited State 7: 2.000-?Sym 17.0928 eV 72.54 nm f=0.0000 <S**2>=0.750
1A -> 8A -0.19294
1A -> 10A -0.23271
1A -> 11A 0.94797
Excited state symmetry could not be determined.
Excited State 8: 2.000-?Sym 17.0928 eV 72.54 nm f=0.0000 <S**2>=0.750
1A -> 7A 0.68442
1A -> 8A 0.41731
1A -> 9A 0.55715
1A -> 10A 0.18781
Excited state symmetry could not be determined.
Excited State 9: 2.000-?Sym 17.0928 eV 72.54 nm f=0.0000 <S**2>=0.750
1A -> 7A -0.57656
1A -> 8A 0.77993
1A -> 9A 0.11905
1A -> 11A 0.18899
Excited state symmetry could not be determined.
Excited State 10: 2.000-?Sym 17.0928 eV 72.54 nm f=0.0000 <S**2>=0.750
1A -> 7A -0.25920
1A -> 8A -0.17147
1A -> 9A 0.10326
1A -> 10A 0.91834
1A -> 11A 0.21344
Excited state symmetry could not be determined.
Excited State 11: 2.000-?Sym 19.3608 eV 64.04 nm f=0.1173 <S**2>=0.750
1A -> 4A -0.14456
1A -> 12A 0.68780
1A -> 13A -0.67143
1A -> 14A -0.18356
Excited state symmetry could not be determined.
Excited State 12: 2.000-?Sym 19.3608 eV 64.04 nm f=0.1173 <S**2>=0.750
1A -> 3A 0.10200
1A -> 5A -0.16195
1A -> 12A -0.35707
1A -> 13A -0.56185
1A -> 14A 0.71723
Excited state symmetry could not be determined.
Excited State 13: 2.000-?Sym 19.3608 eV 64.04 nm f=0.1173 <S**2>=0.750
1A -> 3A -0.12846
1A -> 4A -0.12545
1A -> 12A 0.59751
1A -> 13A 0.43714
1A -> 14A 0.63990