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uid 4072
scaling factor multiple (3)

TransitionsLeft-clk & drag: Zoom; Right-clk: reset

Transitions

Frequency
[wavenumbers]
Wavelength
[microns]
Integrated cross-section
[km/mol]
Symmetry Scaling factor
3137 3.188 16.66 A 0.9597
3119 3.206 112.8 A 0.9597
3118 3.208 98.58 A 0.9597
3117 3.208 87.92 A 0.9597
3117 3.208 90.45 A 0.9597
3115 3.21 54.92 A 0.9597
3115 3.211 4.413 A 0.9597
3113 3.212 3.849 A 0.9597
3113 3.212 23.41 A 0.9597
3112 3.214 40.48 A 0.9597
3110 3.216 4.175 A 0.9597
3109 3.216 5.479 A 0.9597
3109 3.217 6.471 A 0.9597
3107 3.218 3.479 A 0.9597
3099 3.227 3.013 A 0.9597
3098 3.228 0.2377 A 0.9597
3097 3.229 4.944 A 0.9597
3096 3.23 3.284 A 0.9597
3095 3.231 2.357 A 0.9597
3094 3.232 3.741 A 0.9597
3092 3.234 0.5408 A 0.9597
3092 3.234 1.377 A 0.9597
3090 3.237 1.262 A 0.9597
3089 3.238 0.2769 A 0.9597
3086 3.241 5.353 A 0.9597
3085 3.241 0.7488 A 0.9597
3085 3.242 3.684 A 0.9597
3084 3.243 3.639 A 0.9597
3083 3.244 6.578 A 0.9597
3065 3.262 49.67 A 0.9597
3065 3.263 70.84 A 0.9597
3064 3.263 3.739 A 0.9597
3064 3.263 71.15 A 0.9597
3064 3.264 30.79 A 0.9597
3064 3.264 7.069 A 0.9597
3064 3.264 4.961 A 0.9597
1615 6.194 0.2161 A 0.9691
1613 6.2 0.602 A 0.9691
1610 6.21 2.599 A 0.9691
1608 6.218 2.437 A 0.9691
1608 6.22 1.874 A 0.9691
1606 6.228 0.7873 A 0.9691
1605 6.23 0.16 A 0.9691
1604 6.236 2.326 A 0.9691
1603 6.238 5.229 A 0.9691
1603 6.24 13.54 A 0.9691
1602 6.243 32.52 A 0.9691
1601 6.244 12.41 A 0.9691
1600 6.252 20.01 A 0.9691
1598 6.259 9.553 A 0.9691
1597 6.261 21.88 A 0.9691
1597 6.264 7.285 A 0.9691
1595 6.268 2.087 A 0.9691
1595 6.271 1.911 A 0.9691
1593 6.279 2.778 A 0.9691
1590 6.291 0.3989 A 0.9691
1588 6.297 1.633 A 0.9691
1587 6.301 0.3571 A 0.9691
1586 6.304 0.4604 A 0.9691
1584 6.315 0.4452 A 0.9691
1583 6.317 1.347 A 0.9691
1576 6.344 0.8246 A 0.9691
1573 6.356 0.5339 A 0.9691
1569 6.372 3.951 A 0.9691
1567 6.383 0.7886 A 0.9691
1563 6.399 0.164 A 0.9691
1561 6.406 0.4445 A 0.9691
1559 6.414 0.9346 A 0.9691
1558 6.418 0.4435 A 0.9691
1554 6.436 0.1292 A 0.9691
1550 6.451 0.3665 A 0.9691
1548 6.459 2.63 A 0.9691
1543 6.481 0.6792 A 0.9691
1540 6.494 0.23 A 0.9691
1538 6.504 6.424 A 0.9691
1525 6.558 0.1489 A 0.9691
1524 6.561 1.097 A 0.9691
1522 6.572 0.2863 A 0.9691
1517 6.59 2.627 A 0.9691
1515 6.599 1.674 A 0.9691
1512 6.612 3.498 A 0.9691
1512 6.613 0.2464 A 0.9691
1506 6.639 0.6168 A 0.9691
1504 6.647 1.122 A 0.9691
1503 6.653 4.293 A 0.9691
1502 6.659 0.3984 A 0.9691
1499 6.671 1.578 A 0.9691
1486 6.729 0.4436 A 0.9691
1484 6.737 1.598 A 0.9691
1481 6.752 0.4667 A 0.9691
1477 6.769 0.8416 A 0.9691
1474 6.783 7.806 A 0.9691
1472 6.792 0.1158 A 0.9691
1470 6.802 0.4741 A 0.9691
1467 6.819 27.26 A 0.9691
1466 6.823 9.385 A 0.9691
1463 6.836 7.49 A 0.9691
1461 6.843 4.982 A 0.9691
1457 6.864 3.683 A 0.9691
1455 6.874 2.265 A 0.9691
1451 6.893 8.831 A 0.9691
1449 6.902 8.708 A 0.9691
1444 6.924 0.1908 A 0.9691
1443 6.928 1.781 A 0.9691
1440 6.944 0.5845 A 0.9691
1439 6.949 0.3645 A 0.9691
1437 6.96 17.19 A 0.9691
1436 6.963 0.635 A 0.9691
1429 6.998 0.2247 A 0.9691
1424 7.022 3.698 A 0.9691
1420 7.044 0.8916 A 0.9691
1417 7.056 2.477 A 0.9691
1416 7.063 4.626 A 0.9691
1413 7.077 0.8226 A 0.9691
1412 7.082 1.374 A 0.9691
1411 7.09 1.622 A 0.9691
1404 7.121 2.425 A 0.9691
1402 7.131 2.425 A 0.9691
1401 7.139 3.164 A 0.9691
1397 7.156 5.335 A 0.9691
1393 7.178 7.293 A 0.9691
1393 7.179 0.3835 A 0.9691
1392 7.186 0.2476 A 0.9691
1388 7.204 7.527 A 0.9691
1385 7.219 1.007 A 0.9691
1384 7.224 1.865 A 0.9691
1381 7.239 0.9018 A 0.9691
1378 7.255 3.804 A 0.9691
1377 7.26 6.252 A 0.9691
1375 7.273 7.45 A 0.9691
1374 7.277 2.398 A 0.9691
1372 7.286 2.854 A 0.9691
1372 7.288 0.939 A 0.9691
1369 7.302 3.21 A 0.9691
1369 7.306 1.005 A 0.9691
1368 7.311 0.1751 A 0.9691
1365 7.324 0.3669 A 0.9691
1364 7.333 0.081 A 0.9691
1362 7.34 1.774 A 0.9691
1359 7.359 1.119 A 0.9691
1357 7.37 0.9166 A 0.9691
1354 7.387 3.122 A 0.9691
1351 7.401 3.129 A 0.9691
1350 7.406 0.2898 A 0.9691
1349 7.413 1.01 A 0.9691
1348 7.419 6.926 A 0.9691
1345 7.433 5.054 A 0.9691
1345 7.436 1.741 A 0.9691
1342 7.45 0.7971 A 0.9691
1342 7.452 0.9506 A 0.9691
1342 7.454 1.758 A 0.9691
1338 7.471 40.82 A 0.9691
1338 7.472 5.395 A 0.9691
1335 7.489 0.7198 A 0.9691
1335 7.49 3.731 A 0.9691
1333 7.502 4.805 A 0.9691
1331 7.512 2.487 A 0.9691
1329 7.523 1.293 A 0.9691
1328 7.53 5.55 A 0.9691
1326 7.544 19.63 A 0.9691
1325 7.548 1.473 A 0.9691
1322 7.566 2.256 A 0.9691
1320 7.578 1.565 A 0.9691
1318 7.589 1.179 A 0.9691
1316 7.598 10.52 A 0.9691
1313 7.618 0.1046 A 0.9691
1307 7.652 11.28 A 0.9691
1305 7.665 10.18 A 0.9691
1303 7.674 28.56 A 0.9691
1299 7.696 2.067 A 0.9691
1298 7.706 1.216 A 0.9691
1296 7.716 1.622 A 0.9691
1294 7.73 11.4 A 0.9691
1293 7.736 2.184 A 0.9691
1287 7.77 10.43 A 0.9691
1284 7.785 44.67 A 0.9691
1283 7.794 10.39 A 0.9691
1281 7.808 11.82 A 0.9691
1275 7.845 23.25 A 0.9691
1271 7.866 2.877 A 0.9691
1267 7.892 4.072 A 0.9691
1265 7.906 1.626 A 0.9691
1261 7.933 10.59 A 0.9691
1257 7.954 11.18 A 0.9691
1256 7.965 4.485 A 0.9691
1250 7.999 2.608 A 0.9691
1243 8.043 5.759 A 0.9691
1242 8.052 2.963 A 0.9691
1238 8.079 0.7108 A 0.9691
1238 8.08 0.5495 A 0.9691
1235 8.097 6.127 A 0.9691
1233 8.113 1.423 A 0.9691
1231 8.126 1.675 A 0.9691
1228 8.146 0.3548 A 0.9691
1220 8.199 5.581 A 0.9691
1217 8.216 0.6585 A 0.9691
1215 8.232 1.489 A 0.9691
1213 8.241 0.2508 A 0.9691
1212 8.253 1.091 A 0.9691
1211 8.26 0.0437 A 0.9691
1203 8.313 1.202 A 0.9691
1200 8.331 0.6178 A 0.9691
1197 8.352 0.9391 A 0.9691
1194 8.378 2.523 A 0.9691
1187 8.423 1.222 A 0.9691
1184 8.446 1.647 A 0.9691
1178 8.49 2.693 A 0.9691
1174 8.515 3.263 A 0.9691
1171 8.54 5.869 A 0.9691
1168 8.56 8.32 A 0.9691
1165 8.582 1.669 A 0.9691
1163 8.598 12.61 A 0.9691
1159 8.627 13.28 A 0.9691
1156 8.649 0.3842 A 0.9691
1154 8.666 8.887 A 0.9691
1148 8.714 6.96 A 0.9691
1144 8.74 2.9 A 0.9691
1139 8.783 4.5 A 0.9691
1130 8.851 0.9986 A 0.9691
1124 8.895 6.464 A 0.9691
1119 8.939 1.244 A 0.9691
1117 8.953 1.174 A 0.9691
1113 8.983 2.698 A 0.9691
1112 8.991 2.698 A 0.9691
1111 9.001 1.874 A 0.9691
1105 9.051 3.134 A 0.9691
1101 9.085 0.3544 A 0.9691
1098 9.107 1.123 A 0.9691
1096 9.122 1.038 A 0.9691
1095 9.13 5.207 A 0.9691
1093 9.151 4.179 A 0.9691
1084 9.224 2.033 A 0.9691
1081 9.254 0.4836 A 0.9691
1080 9.261 0.3924 A 0.9794
1077 9.285 1.318 A 0.9794
1065 9.387 0.2917 A 0.9794
1053 9.493 0.4164 A 0.9794
1053 9.496 1.622 A 0.9794
1043 9.589 0.6458 A 0.9794
1019 9.811 0.0649 A 0.9794
1009 9.914 0.7294 A 0.9794
1008 9.921 0.2408 A 0.9794
1007 9.932 0.2475 A 0.9794
988.1 10.12 0.0403 A 0.9794
980 10.2 0.0718 A 0.9794
974.8 10.26 0.5037 A 0.9794
969.3 10.32 1.464 A 0.9794
959.4 10.42 0.3462 A 0.9794
946 10.57 0.1955 A 0.9794
945.6 10.58 0.1006 A 0.9794
944.3 10.59 0.374 A 0.9794
943.1 10.6 0.3469 A 0.9794
942.3 10.61 0.1281 A 0.9794
942 10.62 0.2162 A 0.9794
937.7 10.66 0.1551 A 0.9794
936.6 10.68 0.0178 A 0.9794
935.8 10.69 0.0857 A 0.9794
929.5 10.76 0.5134 A 0.9794
926.5 10.79 0.4755 A 0.9794
920.6 10.86 0.009 A 0.9794
918 10.89 1.739 A 0.9794
916.9 10.91 0.1437 A 0.9794
910 10.99 0.1077 A 0.9794
907.8 11.02 0.3589 A 0.9794
907.1 11.02 0.0547 A 0.9794
902.7 11.08 0.5343 A 0.9794
899.4 11.12 0.804 A 0.9794
897.2 11.15 1.328 A 0.9794
896.9 11.15 2.494 A 0.9794
892 11.21 0.4151 A 0.9794
886.3 11.28 1.882 A 0.9794
882.6 11.33 0.3032 A 0.9794
872.7 11.46 0.1849 A 0.9794
871.4 11.48 0.0935 A 0.9794
870.6 11.49 1.164 A 0.9794
866.1 11.55 0.6043 A 0.9794
863.8 11.58 2.87 A 0.9794
861.3 11.61 0.1343 A 0.9794
857.3 11.66 0.2393 A 0.9794
855.1 11.69 0.3852 A 0.9794
854.3 11.71 0.6057 A 0.9794
852.6 11.73 0.1758 A 0.9794
849.2 11.78 6.304 A 0.9794
842.9 11.86 0.4307 A 0.9794
839.9 11.91 0.4237 A 0.9794
826.4 12.1 1.086 A 0.9794
819.8 12.2 26.77 A 0.9794
817 12.24 3.712 A 0.9794
811 12.33 0.7965 A 0.9794
802.9 12.45 18.41 A 0.9794
802.6 12.46 1.439 A 0.9794
801.5 12.48 9.135 A 0.9794
801.2 12.48 10.33 A 0.9794
799.9 12.5 1.522 A 0.9794
799.4 12.51 16.03 A 0.9794
798.7 12.52 0.3326 A 0.9794
797.7 12.54 6.111 A 0.9794
796 12.56 1.009 A 0.9794
794.5 12.59 4.048 A 0.9794
794.1 12.59 12.96 A 0.9794
793.9 12.6 0.2781 A 0.9794
788.3 12.69 18.52 A 0.9794
787.9 12.69 2.701 A 0.9794
786.7 12.71 87.76 A 0.9794
781.7 12.79 0.5304 A 0.9794
778.6 12.84 14.63 A 0.9794
778.4 12.85 93.82 A 0.9794
778.1 12.85 67.48 A 0.9794
772.3 12.95 0.8191 A 0.9794
763.1 13.1 2.291 A 0.9794
757.6 13.2 0.0614 A 0.9794
750.1 13.33 0.0437 A 0.9794
747.7 13.38 5.595 A 0.9794
736.8 13.57 0.1246 A 0.9794
728.2 13.73 2.808 A 0.9794
726.3 13.77 4.029 A 0.9794
725.9 13.78 3.538 A 0.9794
719.9 13.89 5.505 A 0.9794
718.7 13.91 1.579 A 0.9794
718.4 13.92 0.0747 A 0.9794
716.7 13.95 6.699 A 0.9794
716.6 13.96 1.15 A 0.9794
714.9 13.99 1.143 A 0.9794
714.2 14 0.4456 A 0.9794
713.8 14.01 1.432 A 0.9794
712.2 14.04 0.2946 A 0.9794
712 14.04 1.673 A 0.9794
710.7 14.07 0.1112 A 0.9794
710.1 14.08 1.707 A 0.9794
709.2 14.1 1.182 A 0.9794
707.1 14.14 0.2197 A 0.9794
704.1 14.2 0.2762 A 0.9794
703.1 14.22 0.4992 A 0.9794
702.7 14.23 1.996 A 0.9794
693.6 14.42 0.0186 A 0.9794
692.3 14.44 3.013 A 0.9794
687.1 14.55 0.1316 A 0.9794
680.3 14.7 0.2687 A 0.9794
678.4 14.74 0.4275 A 0.9794
676.9 14.77 0.8854 A 0.9794
671.9 14.88 1.458 A 0.9794
668 14.97 1.364 A 0.9794
666 15.01 0.1215 A 0.9794
662.8 15.09 0.4862 A 0.9794
661.8 15.11 0.2632 A 0.9794
657.8 15.2 0.139 A 0.9794
655.2 15.26 0.3702 A 0.9794
654.6 15.28 2.363 A 0.9794
651.6 15.35 0.0326 A 0.9794
650.4 15.37 0.3383 A 0.9794
645.4 15.49 0.301 A 0.9794
644.7 15.51 0.1378 A 0.9794
640.1 15.62 0.3507 A 0.9794
636.7 15.71 0.0929 A 0.9794
632 15.82 0.0675 A 0.9794
630.2 15.87 0.0623 A 0.9794
627.6 15.93 0.0981 A 0.9794
626.5 15.96 0.0747 A 0.9794
625 16 0.1138 A 0.9794
624.2 16.02 0.0636 A 0.9794
620.2 16.13 0.1841 A 0.9794
618.1 16.18 0.0801 A 0.9794
617.5 16.19 0.1567 A 0.9794
616.7 16.22 0.0298 A 0.9794
615.4 16.25 0.0469 A 0.9794
613.8 16.29 2.782 A 0.9794
612.9 16.32 0.2282 A 0.9794
611.8 16.34 0.0767 A 0.9794
609.9 16.4 0.3267 A 0.9794
609.3 16.41 0.1404 A 0.9794
608.1 16.44 0.7552 A 0.9794
607.5 16.46 0.0905 A 0.9794
603.8 16.56 0.0595 A 0.9794
603.7 16.57 0.5357 A 0.9794
603.4 16.57 0.7256 A 0.9794
602.8 16.59 0.0203 A 0.9794
602.5 16.6 0.6243 A 0.9794
598 16.72 0.1037 A 0.9794
597.8 16.73 0.2448 A 0.9794
596.5 16.77 0.5541 A 0.9794
595.9 16.78 0.5707 A 0.9794
593.4 16.85 3.029 A 0.9794
589.6 16.96 1.261 A 0.9794
588.8 16.98 0.6023 A 0.9794
583.2 17.15 1.251 A 0.9794
582.2 17.18 0.1401 A 0.9794
580.5 17.23 0.0837 A 0.9794
577.6 17.31 3.435 A 0.9794
577.4 17.32 4.152 A 0.9794
574.3 17.41 1.021 A 0.9794
572.2 17.48 0.3851 A 0.9794
568.3 17.6 0.7305 A 0.9794
564.5 17.71 0.6393 A 0.9794
563.4 17.75 0.1401 A 0.9794
560.2 17.85 0.0198 A 0.9794
558.7 17.9 0.0374 A 0.9794
557.9 17.92 0.9776 A 0.9794
554.9 18.02 0.1349 A 0.9794
553.5 18.07 0.0138 A 0.9794
551.5 18.13 0.1034 A 0.9794
549.2 18.21 1.4 A 0.9794
547.4 18.27 0.1175 A 0.9794
546.5 18.3 0.8541 A 0.9794
542.9 18.42 0.6291 A 0.9794
541.1 18.48 0.6603 A 0.9794
537.3 18.61 0.6419 A 0.9794
536.6 18.64 0.6081 A 0.9794
533.2 18.76 0.1142 A 0.9794
531.3 18.82 0.0882 A 0.9794
527 18.98 0.3514 A 0.9794
523.9 19.09 1.184 A 0.9794
523.5 19.1 1.774 A 0.9794
518.3 19.29 0.1448 A 0.9794
515 19.42 0.3842 A 0.9794
511.9 19.53 0.8785 A 0.9794
509.4 19.63 0.929 A 0.9794
507 19.72 0.4763 A 0.9794
505.3 19.79 0.1324 A 0.9794
502.6 19.89 3.107 A 0.9794
500.1 19.99 0.3167 A 0.9794
498.3 20.07 0.5517 A 0.9794
491.7 20.34 2.059 A 0.9794
490.7 20.38 0.0842 A 0.9794
486.7 20.55 0.0077 A 0.9794
484.7 20.63 0.4182 A 0.9794
480.3 20.82 0.1836 A 0.9794
476.8 20.97 0.0568 A 0.9794
475.2 21.04 0.1357 A 0.9794
472.6 21.16 0.796 A 0.9794
464.1 21.55 0.1387 A 0.9794
457.1 21.88 0.3384 A 0.9794
448.3 22.31 0.1671 A 0.9794
443.5 22.55 0.1331 A 0.9794
439.9 22.73 0.4122 A 0.9794
437.2 22.87 0.0834 A 0.9794
435.1 22.98 0.0268 A 0.9794
434.5 23.02 0.0873 A 0.9794
433.2 23.09 0.0024 A 0.9794
431.9 23.15 0.0814 A 0.9794
428.8 23.32 0.0086 A 0.9794
428 23.37 0.1988 A 0.9794
419.1 23.86 0.014 A 0.9794
418.1 23.92 0.4151 A 0.9794
416.3 24.02 0.1794 A 0.9794
409.2 24.44 0.0518 A 0.9794
408.5 24.48 0.0532 A 0.9794
405.5 24.66 0.1295 A 0.9794
403.2 24.8 0.9508 A 0.9794
401.1 24.93 0.043 A 0.9794
396.7 25.21 0.2218 A 0.9794
385.1 25.97 0.2355 A 0.9794
384.6 26 0.1228 A 0.9794
379.7 26.34 0.3838 A 0.9794
375.8 26.61 0.031 A 0.9794
374.5 26.71 0.005 A 0.9794
367 27.25 0.267 A 0.9794
366.7 27.27 0.6759 A 0.9794
365 27.4 0.9958 A 0.9794
364.1 27.46 0.0157 A 0.9794
357.5 27.98 0.069 A 0.9794
356.1 28.08 0.1931 A 0.9794
353 28.33 0.3329 A 0.9794
347.6 28.77 0.2215 A 0.9794
346.1 28.89 0.3563 A 0.9794
339.6 29.45 0.2566 A 0.9794
338.9 29.51 0.1536 A 0.9794
336.5 29.72 0.1276 A 0.9794
335.2 29.83 0.0843 A 0.9794
332.2 30.1 0.0996 A 0.9794
331.4 30.18 0.2953 A 0.9794
324.5 30.82 0.6415 A 0.9794
323.4 30.92 0.4578 A 0.9794
318.6 31.38 0.1088 A 0.9794
317.1 31.53 0.2569 A 0.9794
307 32.58 0.0521 A 0.9794
305.1 32.78 0.0234 A 0.9794
297.9 33.57 0.0167 A 0.9794
291.7 34.28 0.132 A 0.9794
285.2 35.06 0.1338 A 0.9794
281.4 35.53 0.1335 A 0.9794
277.8 36 0.0192 A 0.9794
275.5 36.3 0.5243 A 0.9794
274.5 36.43 0.1269 A 0.9794
271.2 36.87 0.5493 A 0.9794
262.8 38.06 0.1292 A 0.9794
259.9 38.47 1.093 A 0.9794
253.6 39.43 0.0144 A 0.9794
249.6 40.06 0.5068 A 0.9794
243.8 41.01 0.1516 A 0.9794
242.8 41.18 0.0553 A 0.9794
229.4 43.6 0.1633 A 0.9794
226.2 44.22 0.1329 A 0.9794
221.7 45.1 0.3061 A 0.9794
214.8 46.56 0.0375 A 0.9794
205.9 48.57 0.2482 A 0.9794
205.1 48.76 0.0508 A 0.9794
197.2 50.72 0.0047 A 0.9794
194.8 51.34 0.121 A 0.9794
193.6 51.65 0.3211 A 0.9794
192.6 51.91 0.0508 A 0.9794
177.9 56.2 1.607 A 0.9794
173.2 57.72 0.2014 A 0.9794
172.8 57.88 0.0847 A 0.9794
161.6 61.87 0.2199 A 0.9794
150.9 66.28 0.0509 A 0.9794
140.9 70.96 0.0625 A 0.9794
137 72.99 0.1422 A 0.9794
131.4 76.11 0.0269 A 0.9794
130.2 76.83 0.0798 A 0.9794
125.1 79.97 0.0258 A 0.9794
123.8 80.8 0.0179 A 0.9794
120.4 83.03 0.1857 A 0.9794
113.7 87.95 0.0789 A 0.9794
113.4 88.2 0.0383 A 0.9794
109.7 91.12 0.4781 A 0.9794
106.1 94.27 0.128 A 0.9794
104.2 96 0.583 A 0.9794
93.39 107.1 0.2611 A 0.9794
92.86 107.7 0.0622 A 0.9794
72.29 138.3 0.7268 A 0.9794
68.86 145.2 0.012 A 0.9794
52.29 191.2 0.0236 A 0.9794
40.72 245.6 0.0057 A 0.9794
37.32 267.9 0.0063 A 0.9794
36 277.8 0.3009 A 0.9794
32.96 303.4 0.0655 A 0.9794
31.38 318.6 0.2833 A 0.9794
23.07 433.5 0.1511 A 0.9794
20.99 476.4 0.0292 A 0.9794
17.6 568.2 0.0105 A 0.9794
11.22 891.4 0.0173 A 0.9794
9.053 1105 0.0007 A 0.9794
7.627 1311 0.0008 A 0.9794
2.244 4457 0.0014 A 0.9794

Vibrations

Note(s):


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10,749 species present in version 4.00 of the theoretical database (Jun 27, 2024)