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Table A.2
Radial parameters (in cm-1) adopted for the calculations in Zr v.
| Configuration | Parameter | HFR | Fitted | Ratio | Notea |
|
|
|||||
| Even parity | |||||
| 4p6 | E av | 17 448 | 17 850 | ||
| 4p55p | E av | 387 307 | 386 625 | ||
| ζ 4p | 9939 | 10 310 | 1.037 | ||
| ζ 5p | 1865 | 2181 | 1.169 | ||
| F2(4p,5p) | 22 698 | 18 416 | 0.811 | ||
| G0(4p,5p) | 4681 | 3978 | 0.850 | R1 | |
| G2(4p,5p) | 6345 | 5392 | 0.850 | R1 | |
| 4p56p | E av | 502 342 | 500 684 | ||
| ζ 4p | 9978 | 10 094 | 1.012 | ||
| ζ 6p | 806 | 806 | 1.000 | F | |
| F2(4p,6p) | 8810 | 9530 | 1.082 | ||
| G0(4p,6p) | 1627 | 1480 | 0.909 | R2 | |
| G2(4p,6p) | 2338 | 2127 | 0.909 | R2 | |
| 4p54f | E av | 467 645 | 466 814 | ||
| ζ 4p | 9921 | 10 271 | 1.035 | ||
| ζ 4f | 5.6 | 5.6 | 1.000 | F | |
| F2(4p,4f) | 26 008 | 22 351 | 0.859 | ||
| G2(4p,4f) | 15 949 | 15 868 | 0.995 | R3 | |
| G4(4p,4f) | 10 543 | 10 489 | 0.995 | R3 | |
| 4s4p64d | E av | 489 915 | 486 506 | ||
| ζ 4d | 632 | 602 | 0.951 | ||
| G2(4s,4d) | 59 108 | 55 453 | 0.938 | ||
| 4p54f–4s4p64d | R1(4s4f;4p4d) | 48 624 | 41 323 | 0.850 | R4 |
| R2(4s4f;4p4d) | 29 168 | 24 793 | 0.850 | R4 | |
| Odd parity | |||||
| 4p54d | E av | 282 268 | 268 099 | ||
| ζ 4p | 9573 | 9593 | 1.002 | ||
| ζ 4d | 616 | 651 | 1.057 | ||
| F2(4p,4d) | 65 494 | 57 294 | 0.875 | ||
| G1(4p,4d) | 81 132 | 66 326 | 0.818 | ||
| G3(4p,4d) | 50 008 | 44 565 | 0.891 | ||
| 4p55d | E av | 479 226 | 463 036 | ||
| ζ 4p | 9933 | 10 320 | 1.039 | ||
| ζ 5d | 163 | 194 | 1.185 | ||
| F2(4p,5d) | 16 341 | 13 181 | 0.807 | ||
| G1(4p,5d) | 9999 | 6618 | 0.662 | ||
| G3(4p,5d) | 7140 | 6306 | 0.883 | ||
| 4p56d | E av | 551 860 | 535 375 | ||
| ζ 4p | 9974 | 10 464 | 1.049 | ||
| ζ 6d | 77 | 77 | 1.000 | F | |
| F2(4p,6d) | 7018 | 3966 | 0.565 | R5 | |
| G1(4p,6d) | 3816 | 2156 | 0.565 | R5 | |
| G3(4p,6d) | 2854 | 1613 | 0.565 | R5 | |
| 4p57d | E av | 589 057 | 573 664 | ||
| ζ 4p | 9989 | 9989 | 1.000 | F | |
| ζ 7d | 43 | 43 | 1.000 | F | |
| F2(4p,7d) | 3731 | 2109 | 0.565 | R5 | |
| G1(4p,7d) | 1940 | 1096 | 0.565 | R5 | |
| G3(4p,7d) | 1484 | 839 | 0.565 | R5 | |
| 4p55s | E av | 349 759 | 335 259 | ||
| ζ 4p | 9867 | 10 182 | 1.032 | ||
| G1(4p,5s) | 7881 | 7278 | 0.923 | ||
| 4p56s | E av | 495 108 | 478 170 | ||
| ζ 4p | 9959 | 10 316 | 1.036 | ||
| G1(4p,6s) | 2433 | 2132 | 0.876 | ||
| 4p57s | E av | 558 823 | 542 240 | ||
| ζ 4p | 9984 | 10 360 | 1.038 | ||
| G1(4p,7s) | 1115 | 980 | 0.879 | ||
| 4p58s | E av | 592 851 | 576 592 | ||
| ζ 4p | 9994 | 9994 | 1.000 | F | |
| G1(4p,8s) | 613 | 552 | 0.900 | F | |
| 4p59s | E av | 613 233 | 596 840 | ||
| ζ 4p | 9998 | 9998 | 1.000 | F | |
| G1(4p,9s) | 375 | 337 | 0.900 | F | |
| 4p510s | E av | 626 415 | 610 078 | ||
| ζ 4p | 10 001 | 10 001 | 1.000 | F | |
| G1(4p,10s) | 247 | 222 | 0.900 | F | |
| 4p55g | E av | 558 379 | 542 891 | ||
| ζ 4p | 10 004 | 10 394 | 1.039 | ||
| ζ 5g | 0.8 | 0.8 | 1.000 | F | |
| F2(4p,5g) | 4855 | 4142 | 0.853 | R6 | |
| G3(4p,5g) | 392 | 335 | 0.853 | R6 | |
| G5(4p,5g) | 277 | 236 | 0.853 | R6 | |
| 4p56g | E av | 592 345 | 576 588 | ||
| ζ 4p | 10 004 | 10 388 | 1.038 | ||
| ζ 6g | 0.4 | 0.4 | 1.000 | F | |
| F2(4p,6g) | 2776 | 2436 | 0.877 | R7 | |
| G3(4p,6g) | 358 | 314 | 0.877 | R7 | |
| G5(4p,6g) | 253 | 222 | 0.877 | R7 | |
| 4s4p65p | E av | 629 514 | 612 875 | ||
| ζ 5p | 1879 | 1879 | 1.000 | F | |
| G1(4s,5p) | 6870 | 6183 | 0.900 | F | |
| 4p54d–4p55s | R2(4p4d;4p5s) | –8924 | –5044 | 0.565 | R8 |
| R1(4p4d;4p5s) | –1482 | –837 | 0.565 | R8 | |
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