| Medium | λexp | Es (eV) | λCalc (nm) | f | Contribution |
| Gas |
| S1(2.172) | 570.73 | 0.012 | HOM-LUMO |
| S2(2.991) | 414.47 | 0.003 | HOMO-LUMO+1 | ||
| S3(3.099) | 400.00 | 0.000 | HOMO-3-LUMO, HOMO-2-LUMO | ||
| S4(3.442) | 360.23 | 0.000 | HOMO-4-LUMO | ||
| S5(3.835) | 323.32 | 0.181 | HOMO-1-LUMO, HOMO-LUMO+4 | ||
| S6(3.920) | 316.27 | 0.004 | HOMO-3-LUMO, HOMO-2-LUMO | ||
| Chloroform | 535.5 | S1(2.252) | 550.64 | 0.016 | HOMO-LUMO |
| S2(3.012) | 411.65 | 0.000 | HOMO-3-LUMO | ||
| S3(3.319) | 373.62 | 0.002 | HOMO-1-LUMO | ||
| S4(3.527) | 351.51 | 0.000 | HOMO-4-LUMO | ||
| S5(3.707) | 334.51 | 0.002 | HOMO-LUMO+1 | ||
| S6(3.871) | 320.32 | 0.245 | HOMO-2-LUMO, HOMO-LUMO+5 | ||
| Methanol | 529.5 | S1(2.294) | 540.54 | 0.015 | HOMO-LUMO |
| S2(2.991) | 414.51 | 0.000 | HOMO-3-LUMO, HOMO-1-LUMO | ||
| S3(3.119) | 397.50 | 0.000 | HOMO-3-LUMO, HOMO-1-LUMO | ||
| S4(3.557) | 348.54 | 0.000 | HOMO-4-LUMO | ||
| S5(3.904) | 317.59 | 0.232 | HOMO-2-LUMO, HOMO-LUMO+4, HOMO-LUMO+5 | ||
| S6(3.954) | 313.59 | 0.001 | HOMO-LUMO+1 |