Table 2. Isocyanic Acid. Binding Energies and Main Character of Selected Cationic States of the RAES at the 1s_O → 10a′ Resonance, and of the AES^a.

binding energy, BE (eV)	state main configuration [with CI weight]b
RAES (Spectrum Shown in Figure 6a)
11.43	(9a′)−1[0.87]
12.03	(2a″)−1[0.88]
15.56	(8a′)−1[0.79]
15.56	(1a″)−1[0.77]
17.36	(7a′)−1[0.81]
19.64	(2a″)−2(10a′)1[0.71]
20.24	(2a″)−2(3a″)1[0.31] + (9a′)−1(2a″)−1(10a′)1[0.49]
21.22	(9a′)−1(2a″)−1(3a″)1[0.42] + (9a′)−2(10a′)1[0.29]
24.82	(1a″)−1(2a″)−1(10a′)1[0.34] + (8a′)−1(9a′)−1(10a′)1[0.14]
25.36	(1a″)−1(2a″)−1(3a″)1[0.12] + (1a″)−1(9a′)−1(10a′)1[0.22]
28.00	(8a′)−2(10a′)1[0.18]
28.51	(1a″)−2(10a′)1[0.10] + (8a′)−1(1a″)−1(3a″)1[0.11] + (6a′)−1(9a′)−1(10a′)1[0.17]
AES (Spectrum of Figure 6b)
33.46	(2a″)−2[0.75]
33.80	(9a′)−1(2a″)−1[0.80]
35.01	(9a′)−2[0.71]
38.32	(9a′)−1(1a″)−1[0.30] + (8a′)−1(2a″)−1[0.19] + (7a′)−1(2a″)−1[0.14]
38.62	(1a″)−1(2a″)−1[0.24] + (7a′)−1(9a′)−1[0.25] + (8a′)−1(9a′)−1[0.18]
42.11	(8a′)−2[0.34] + (6a′)−1(9a′)−1[0.16]
42.44	(8a′)−1(1a″)−1[0.39] + (6a′)−1(2a″)−1[0.17]
44.73	(7a′)−1(8a′)−1[0.44] + (6a′)−1(9a′)−1[0.11]
49.79	(7a′)−2[0.27] + (6a′)−1(7a′)−1[0.18]

^aThe numbers within square brackets correspond to the CI weight of the given configuration.

^bWe show only configurations with CI weights of >0.1.