27 lines
1.9 KiB
Plaintext
27 lines
1.9 KiB
Plaintext
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Cyclopentadiene "^1 B_2 (\pi \rightarrow \pi^*)" 5.79 5.80 5.80 0.02 5.79 0.02
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Cyclopentadiene "^3 B_2 (\pi \rightarrow \pi^*)" 3.33 3.33 3.32 0.04 3.29 0.07
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Furan "^1A_2(\pi \rightarrow 3s)" 6.26 6.28 6.31 0.05 6.37 0.01
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Furan "^3B_2(\pi \rightarrow \pi^*)" 4.28 4.28 4.26 0.04 4.22 0.07
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Imidazole "^1A''(\pi \rightarrow 3s)" 5.77 5.77 5.78 0.05 5.96 0.14
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Imidazole "^3A'(\pi \rightarrow \pi^*)" 4.83 4.81 4.82 0.07 4.65 0.22
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Pyrrole "^1A_2(\pi \rightarrow 3s)" 5.25 5.25 5.23 0.07 5.31 0.01
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Pyrrole "^3B_2(\pi \rightarrow \pi^*)" 4.59 4.58 4.54 0.07 4.37 0.23
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Thiophene "^1A_1(\pi \rightarrow \pi^*)" 5.79 5.77 5.75 0.08 5.73 0.09
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Thiophene "^3B_2(\pi \rightarrow \pi^*)" 3.95 3.94 3.98 0.01 3.99 0.02
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Benzene "^1B_{2u}(\pi \rightarrow \pi^*)" 5.13 5.10 5.06 0.09 5.21 0.07
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Benzene "^3B_{1u}(\pi \rightarrow \pi^*)" 4.18 4.16 4.28 0.06 4.17 0.07
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Cyclopentadienone "^1A_2(n \rightarrow \pi^*)" 3.03 3.03 3.08 0.02 3.13 0.03
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Cyclopentadienone "^3B_2(\pi \rightarrow \pi^*)" 2.30 2.32 2.37 0.05 2.10 0.25
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Pyrazine "^1B_{3u}(n \rightarrow \pi^*)" 4.28 4.28 4.26 0.09 4.10 0.25
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Pyrazine "^3B_{3u}(n \rightarrow \pi^*)" 3.68 3.68 3.70 0.03 3.70 0.01
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Tetrazine "^1B_{3u}(n \rightarrow \pi^*)" 2.53 2.54 2.56 0.05 5.07 0.16
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Tetrazine "^3B_{3u}(n \rightarrow \pi^*)" 1.87 1.88 1.91 0.03 4.04 0.49
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Pyridazine "^1B_1(n \rightarrow \pi^*)" 3.95 3.95 3.97 0.10 3.60 0.43
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Pyridazine "^3B_1(n \rightarrow \pi^*)" 3.27 3.26 3.27 0.15 3.46 0.14
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Pyridine "^1B_1(n \rightarrow \pi^*)" 5.12 5.10 5.15 0.12 4.90 0.24
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Pyridine "^3A_1(\pi \rightarrow \pi^*)" 4.33 4.31 4.42 0.85 3.68 1.05
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Pyrimidine "^1B_1(n \rightarrow \pi^*)" 4.58 4.57 4.64 0.11 2.54 0.05
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Pyrimidine "^3B_1(n \rightarrow \pi^*)" 4.20 4.20 4.55 0.37 2.18 0.27
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Triazine "^1A_1''(n \rightarrow \pi^*)" 4.85 4.84 4.77 0.13 5.12 0.51
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Triazine "^3A_2''(n \rightarrow \pi^*)" 4.40 4.40 4.45 0.39 4.73 0.06
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