Table 2.
i | f | BSR (df ) | CCC (df ) | GRASP2K (df ) | NIST(Unc.) |
---|---|---|---|---|---|
21S | 21P | 1.36E+00 (4.3) | 1.37E+00 (5.7) | 1.38E+00 (0.0) | 1.37E+00 (A) |
21S | 31P | 1.32E−02 (10.1) | 1.50E−02 (27.0) | 1.27E−02 (16.5) | 8.98E−03 (A) |
21S | 41P | 2.69E−04 (20.8) | 9.00E−06 | 1.42E−05 (89.9) | 1.20E−04 (D) |
23P | 33S | 8.34E−02 (4.4) | 8.14E−02 (6.8) | 8.34E−02 (2.8) | 8.44E−02 (B) |
23P | P3P | 4.52E−01 (5.5) | 4.46E−01 (2.1) | 4.43E−01 (0.4) | 4.46E−01 (A) |
23P | 33D | 2.96E−01 (1.3) | 2.91E−01 (1.0) | 3.01E−01 (0.2) | 2.99E−01 (A) |
23P | 43S | 1.18E−02 (5.0) | 1.15E−02 (10.0) | 1.16E−02 (3.4) | 1.18E−02 (C) |
23P | 43D | 1.02E−01 (1.5) | 9.75E−02 (1.0) | 9.74E−02 (0.7) | 9.61E−02 (B) |
21P | 31S | 1.20E−01 (5.7) | 1.30E−01 (0.5) | 1.24E−01 (3.2) | 1.15E−01 (B) |
21P | P1D | 1.37E−03 (12.0) | 2.06E−03 (55.0) | 8.86E−04 (61.3) | |
21P | 31D | 3.98E−01 (1.3) | 4.06E−01 (2.0) | 4.13E−01 (2.4) | 3.98E−01 (B) |
21P | 41S | 8.63E−03 (9.4) | 9.14E−03 (2.2) | 9.69E−03 (4.7) | 9.81E−03 (B) |
21P | 41D | 2.02E−01 (0.5) | 1.96E−01 (1.3) | 1.78E−01 (4.2) | 1.77E−01 (B) |
33S | 33P | 1.14E+00 (5.3) | 1.13E+00 (3.0) | 1.13E+00 (1.1) | 1.13E+00 (B) |
33S | 43P | 4.41E−03 (35.9) | 3.36E−03 (27.0) | 3.13E−03 (9.8) | 3.50E−03 (D) |
31S | 31P | 9.81E−01 (8.3) | 9.48E−01 (1.3) | 9.52E−01 (0.8) | 9.57E−01 (B) |
31S | 41P | 8.60E−03 (38.9) | 7.81E−03 (16.0) | 7.31E−03 (1.1) | 9.68E−03 (C) |
P1D | 31P | 7.23E−02 (9.6) | 7.26E−02 (14.0) | 7.16E−02 (1.1) | |
P1D | 41P | 4.93E−03 (12.1) | 4.70E−03 (25.0) | 4.70E−03 (4.2) | 4.50E−03 (D) |
P1D | 41F | 1.64E−01 (2.7) | 1.63E−01 (1.9) | 1.60E−01 (0.2) | 1.56E−01 (B) |
33P | 33D | 5.10E−01 (0.4) | 5.05E−01 (0.5) | 5.01E−01 (0.2) | |
33P | 43S | 2.23E−01 (4.3) | 2.17E−01 (3.2) | 2.17E−01 (1.0) | 2.18E−01 (B) |
33P | 43D | 1.44E−01 (0.4) | 1.34E−01 (0.2) | 1.37E−01 (0.7) | 1.33E−01 (B) |
31P | 31D | 7.04E−01 (3.7) | 6.95E−01 (3.2) | 6.91E−01 (0.0) | 6.78E−01 (A) |
31P | 41S | 2.16E−01 (6.3) | 2.23E−01 (2.0) | 2.19E−01 (0.9) | 2.12E−01 (B) |
31P | 41D | 1.93E−02 (13.0) | 1.75E−02 (9.2) | 1.89E−02 (2.2) | 1.74E−02 (C) |
33D | 43P | 8.14E−02 (0.3) | 8.26E−02 (0.6) | 7.88E−02 (0.2) | 8.11E−02 (A) |
33D | 43F | 8.91E−01 (3.0) | 8.73E−01 (2.6) | 8.65E−01 (0.2) | 8.76E−01 (A) |
43S | 43P | 1.61E+00 (2.8) | 1.61E+00 (2.2) | 1.62E+00 (0.4) | |
31D | 41P | 2.11E−01 (4.6) | 2.14E−01 (5.0) | 2.04E−01 (0.6) | |
31D | 41F | 1.07E+00 (2.9) | 1.05E+00 (3.4) | 1.02E+00 (0.0) | 1.02E+00 (B) |
41S | 41P | 1.44E+00 (5.0) | 1.42E+00 (2.0) | 1.41E+00 (1.5) | |
43P | 43D | 8.18E−01 (0.3) | 8.03E−01 (0.0) | 8.35E−01 (3.3) | |
41P | 41D | 1.19E+00 (2.4) | 1.15E+00 (1.7) | 1.22E+00 (1.0) | |
43D | 43F | 1.27E−01 (4.6) | 1.39E−01 (3.5) | 1.38E−01 (10.9) | |
41F | 41D | 1.30E−01 (6.3) | 1.24E−01 (7.3) | 1.34E−01 (10.6) |