1001 H-atom 1 0.6021 0.6021 0.6021 0.6021 0.6021 0.6021 0.6021 1 2001 D-atom 1 0.7782 0.7782 0.7782 0.7782 0.7782 0.7782 0.7782 1 3001 HD 1 0.7004 0.5864 0.4315 0.1962 0.0406 0.0014 0.0001 2 4001 H2D+ 19 1.8682 1.6944 1.4398 0.9880 0.4916 0.0845 0.0016 1 7001 Li-6-H 33 1.4493 1.3248 1.1515 0.8603 0.5803 0.3226 0.1138 1 8001 LiH 40 1.4581 1.3336 1.1602 0.8688 0.5883 0.3297 0.1188 1 8002 Li-6-D 40 1.6901 1.5631 1.3878 1.0921 0.8029 0.5263 0.2755 1 9001 LiD 40 1.7060 1.5788 1.4034 1.1075 0.8173 0.5403 0.2876 1 12001 C-atom 2 0.8939 0.8744 0.8363 0.7295 0.5494 0.3075 0.0962 2 13001 C-13-atom 7 1.1950 1.1754 1.1374 1.0305 0.8504 0.6085 0.3972 2 13002 CH 324 2.0822 1.9608 1.7924 1.5175 1.2752 1.0864 0.9523 1 13003 CH+ 9 1.1861 1.0641 0.8942 0.6125 0.3512 0.1342 0.0178 1 14001 N-atom 2 1.0792 1.0792 1.0792 1.0792 1.0792 1.0792 1.0792 1 14002 N-atom-D-st 6 1.4700 1.4676 1.4629 1.4495 1.4246 1.3827 1.3247 3 15001 NH 1416 2.3736 2.2521 2.0834 1.8051 1.5511 1.3511 1.2637 1* 16001 O-atom 2 0.8287 0.8010 0.7612 0.7123 0.6996 0.6990 0.6990 2 17001 OH 1160 1.9111 1.7803 1.6036 1.3570 1.2313 1.2042 1.2022 4* 17002 NH3 446 2.7627 2.5780 2.3162 1.8725 1.4410 1.0512 0.7322 3 17003 CH3D 143 2.9068 2.7198 2.4568 2.0093 1.5674 1.1479 0.7752 2* 17004 NH3-v2 442 2.7627 2.5780 2.3162 1.8725 1.4410 1.0512 0.7322 1 17005 OH-v1,2 1765 1.9111 1.7803 1.6036 1.3570 1.2313 1.2042 1.2022 1* 18001 OD 912 2.3272 2.1858 1.9889 1.6899 1.4899 1.3983 1.3804 1 18002 N-15-H3 235 2.7603 2.6544 2.3143 1.8734 1.4420 1.0522 0.7336 2 18003 H2O 3086 2.2507 2.0645 1.8040 1.3649 0.9335 0.4819 0.0994 6* 18004 NH2D 5036 3.5787 3.3818 3.1117 2.6378 2.1367 1.6068 1.1219 1 18005 H2O v2,2v2,v 28832 2.2507 2.0645 1.8040 1.3649 0.9335 0.4819 0.0994 4* 19001 HO-18 295 1.9135 1.7826 1.6056 1.3584 1.2318 1.2043 1.2022 2 19002 HDO 1401 2.1669 1.9803 1.7185 1.2753 0.8421 0.4332 0.1252 3 19003 H2O-17 404 2.2524 2.0664 1.8059 1.3668 0.9353 0.4835 0.0999 1 19004 H3O+ 304 2.7161 2.5144 2.2407 1.7963 1.4259 1.2018 1.0650 2* 19005 H3O+ v1,v3,v 1973 2.7161 2.5144 2.2407 1.7963 1.4259 1.2018 1.0650 1* 20001 D2O 1137 3.0190 2.8322 2.5696 2.1242 1.6863 1.2685 0.9367 2 20002 HF 8 1.0213 0.9009 0.7343 0.4622 0.2212 0.0524 0.0024 1 20003 H2O-18 726 2.2544 2.0682 1.8076 1.3685 0.9369 0.4849 0.1004 1 21001 HDO-18 952 2.1724 1.9858 1.7239 1.2806 0.8472 0.4378 0.1274 1 21002 DF 20 1.2917 1.1691 0.9978 0.7118 0.4416 0.2043 0.0443 1 25001 CCH 114 2.7591 2.6344 2.4589 2.1598 1.8628 1.5699 1.2852 1 25002 NaH 52 1.6427 1.5166 1.3417 1.0468 0.7590 0.4852 0.2405 1 26001 CN, v = 0, 1 874 2.8222 2.6976 2.5223 2.2238 1.9280 1.6376 1.3579 2 27001 HCN 40 2.6277 2.5031 2.3276 2.0286 1.7317 1.4389 1.1545 2 27002 HNC 49 2.1409 2.0162 1.8407 1.5418 1.2449 0.9523 0.6683 2 27003 HCN-v2 132 2.1506 2.0260 1.8505 1.5515 1.2546 0.9618 0.6774 1 27004 C-13-N 1218 3.1415 3.0169 2.8416 2.5429 2.2468 1.9556 1.6746 1 28001 CO 91 2.0369 1.9123 1.7370 1.4386 1.1429 0.8526 0.5733 4* 28002 HC-13-N 45 2.6389 2.5145 2.3390 2.0399 1.7428 1.4498 1.1650 1 28003 HCN-15 35 2.1634 2.0388 1.8633 1.5642 1.2671 0.9741 0.6892 1 28004 DCN 54 2.7151 2.5906 2.4150 2.1156 1.8179 1.5236 1.2361 1 28005 HNC-13 34 2.1580 2.0336 1.8581 1.5590 1.2620 0.9691 0.6844 1 28006 HN-15-C 33 2.1494 2.0249 1.8494 1.5504 1.2534 0.9607 0.6763 1 28007 DNC 53 2.2156 2.0909 1.9153 1.6160 1.3184 1.0245 0.7377 2 28008 HCNH+ 74 2.2281 2.1034 1.9279 1.6285 1.3309 1.0368 0.7496 1 28009 CO+ 88 2.3278 2.2034 2.0281 1.7297 1.4342 1.1441 0.8653 1 29001 C-13-O 60 2.0564 1.9318 1.7565 1.4579 1.1620 0.8712 0.5909 3* 29002 HCO+ v=0,1,2 373 2.1643 2.0276 1.8481 1.5488 1.2519 0.9591 0.6748 4* 29003 CH2NH 2957 3.7703 3.5798 3.3191 2.8695 2.4206 1.9745 1.5341 2 29004 HCO 2454 3.4806 3.2930 3.0286 2.5779 2.1298 1.6901 1.3077 1 29005 NNH+ 34 3.0831 2.9586 2.7832 2.4842 2.1875 1.8952 1.6116 1 29006 CO-17 50 2.0480 1.9234 1.7481 1.4496 1.1537 0.8632 0.5833 2* 29007 HOC+ 40 2.1466 2.0219 1.8464 1.5474 1.2505 0.9578 0.6735 1 30001 CO-18 60 2.0580 1.9334 1.7581 1.4595 1.1636 0.8728 0.5924 3* 30002 HC-13-O+ 40 2.1599 2.0353 1.8598 1.5607 1.2637 0.9707 0.6859 3 30003 DCO+ 1041 2.7335 2.5972 2.4176 2.1179 1.8202 1.5258 1.2382 3 30004 H2CO 3506 3.4598 3.2724 3.0086 2.5584 2.1094 1.6501 1.1399 2* 30005 C-13-H2NH 439 3.3037 3.1163 2.8522 2.4006 1.9491 1.4975 1.0460 1 30006 CH2N-15-H 440 3.3044 3.1170 2.8529 2.4013 1.9498 1.4982 1.0467 1 30007 CH2ND 1834 3.8562 3.6688 3.4053 2.9094 2.4740 1.9667 1.6373 1 30008 NO 1909 3.0643 2.9122 2.6922 2.3216 1.9977 1.7160 1.4604 1 30009 NND+ 41 2.6881 2.5634 2.3878 2.0886 1.7911 1.4972 1.2106 1 30010 HOC-13+ 40 2.1651 2.0404 1.8649 1.5657 1.2686 0.9756 0.6906 1 30011 NO+ 154 2.4994 2.3749 2.1997 1.9014 1.6059 1.3159 1.0374 1 30012 DOC+ 40 2.2152 2.0905 1.9149 1.6155 1.3180 1.0241 0.7373 1 31001 HCO-18+ 34 2.1678 2.0432 1.8677 1.5686 1.2716 0.9784 0.6934 2 31002 H2C-13-O 2309 3.4707 3.2833 3.0194 2.5692 2.1201 1.6607 1.1501 2* 31003 HDCO 4204 3.2854 3.0993 2.8365 2.3868 1.9381 1.4921 1.0518 1 31004 HO-18-C+ 40 2.1607 2.0360 1.8605 1.5614 1.2644 0.9714 0.6866 1 31005 HNO 10293 3.4396 3.2530 2.9892 2.5391 2.0911 1.6476 1.2363 1 31006 Methoxy 10936 4.2925 4.1277 3.8637 3.3579 2.8474 2.3952 2.0075 1* 31007 D13CO+ 40 2.2484 2.1237 1.9481 1.6486 1.3509 1.0564 0.7686 1* 31008 CH3NH2 28298 5.0959 4.9083 4.6439 4.1920 3.7401 3.2882 2.8363 1* 32001 O2 237 2.3398 2.2152 2.0398 1.7419 1.4477 1.1618 0.8960 3 32002 O2-v1 237 2.3398 2.2152 2.0398 1.7419 1.4477 1.1618 0.8960 4 32003 CH3OH 4665 4.1471 3.8758 3.5702 3.0777 2.5480 2.0323 1.5604 2* 32004 H2CO-18 449 3.4796 3.2922 3.0281 2.5789 2.1299 1.6703 1.1596 1 32005 O2-snglt-dlta 67 2.1748 2.0521 1.8804 1.5929 1.3187 1.0702 0.8686 1 32006 D2CO 3682 4.0582 3.8707 3.6068 3.1562 2.7069 2.2606 1.8283 1 32007 DNO 14739 3.6086 3.4226 3.1589 2.7086 2.2601 1.8149 1.3783 1 33001 HO2 21954 3.6410 3.4536 3.1896 2.7391 2.2904 1.8464 1.4408 3 33002 O-17-O 10787 3.4302 3.3051 3.1290 2.8280 2.5277 2.2297 1.9397 1 33003 SH v=0,1 646 2.0547 1.9137 1.7355 1.4902 1.3132 1.2227 1.2045 1* 34001 O-18-O 400 2.6638 2.5387 2.3625 2.0615 1.7610 1.4627 1.1721 3 34002 H2S 1525 2.7113 2.5244 2.2619 1.8164 1.3778 0.9395 0.4640 3 34003 PH3 728 2.9052 2.7221 2.4606 2.0132 1.5705 1.1435 0.7631 3 34004 H2O2 38357 3.9906 3.7605 3.4494 2.9521 2.4608 1.9535 1.4262 4 34005 SD 1125 2.4965 2.3494 2.1600 1.8837 1.6518 1.4802 1.3960 1* 35001 HDS 1138 2.6344 2.4486 2.1859 1.7384 1.2957 0.8628 0.4516 1 36001 HCl 137 1.9211 1.8018 1.6369 1.3687 1.1283 0.9337 0.8121 2 37001 DCl 228 2.1940 2.0701 1.8963 1.6026 1.3166 1.0462 0.8085 1 37002 C3H 4990 3.7982 3.6648 3.4714 3.1217 2.7380 2.3227 1.9243 1 37003 c-C3H 2973 4.0152 3.8334 3.5728 3.1290 2.6964 2.2837 1.9101 1 38001 HCl-37 137 1.9218 1.8024 1.6375 1.3692 1.1288 0.9340 0.8123 2 38002 c-C3H2 30436 4.1215 3.9226 3.6548 3.2035 2.7535 2.3050 1.8598 2 38003 C3D 1560 3.5539 3.4251 3.2396 2.9107 2.5578 2.1682 1.7477 1 38004 c-CCC-13-H 6541 4.1906 4.0663 3.8572 3.4405 3.0093 2.5963 2.2222 1 38005 c-C-13-CCH 9753 4.4919 4.3666 4.1549 3.7290 3.2797 2.8312 2.3863 1 38006 c-C3D 6001 3.7823 3.7191 3.6021 3.3146 2.9330 2.5248 2.1482 1 39001 c-HC-13-CCH 17768 3.8166 3.6293 3.3652 2.9143 2.4642 2.0157 1.5703 2 39002 c-HCC-13-CH 6892 3.8216 3.6343 3.3703 3.9193 2.4692 2.0206 1.5752 2 39003 c-C3HD 21610 3.8693 3.6822 3.4181 2.9671 2.5169 2.0681 1.6222 2 39004 DCl-37 228 2.1953 2.0714 1.8976 1.6038 1.3178 1.0473 0.8094 1 39005 NaO 6440 3.8468 3.6716 3.4368 3.0548 2.7151 2.4198 2.1438 1* 40001 CH3CCH 813 3.7347 3.5471 3.2835 2.8323 2.3825 1.9458 1.5368 1 40002 NaOH 91 2.6980 2.5729 2.3968 2.0961 1.7961 1.4973 1.2009 1 40003 SiC 982 3.1953 3.0437 2.8242 2.4233 2.0148 1.6657 1.3974 1 40004 SiC-v1 703 3.1953 3.0437 2.8242 2.4233 2.0148 1.6657 1.3974 1 40005 KH 40 1.8000 1.6721 1.4960 1.1989 0.9070 0.6248 0.3624 1 40006 C2O 354 3.2110 3.0861 2.9100 2.6092 2.3087 2.0089 1.7106 1* 40007 MgO 88 2.5736 2.4409 2.2621 1.9614 1.6619 1.3640 1.0693 1* 41001 CH3CN v8=0,1 29304 4.6136 4.3733 4.0569 3.5801 3.1294 2.6928 2.2839 3* 41002 CH3CC-13-H 822 3.7479 3.5603 3.2966 2.8455 2.3956 1.9589 1.5498 1 41003 CH3C-13-CH 813 3.7349 3.5473 3.2837 2.8325 2.3826 1.9460 1.5370 1 41004 C-13-H3CCH 821 3.7467 3.5591 3.2954 2.8443 2.3944 1.9577 1.5487 1 41005 CH3CCD 822 4.2353 4.0480 3.7882 3.3509 2.9005 2.4631 2.0537 2 41006 CH2DCCH 223 3.6463 3.4586 3.2131 2.9566 2.6131 2.1936 1.7472 2 41007 SiC-13 2417 3.5156 3.3674 3.1488 2.7474 2.3381 1.9874 1.7165 1 41008 CaH 387 2.2998 2.1753 2.0007 1.7051 1.4157 1.1384 0.8861 1 41009 CH3NC 1798 3.9677 3.7802 3.5161 3.0649 2.6152 2.1785 1.7698 1 42001 CH3CN-15 2755 4.0184 3.8308 3.5667 3.1154 2.6655 2.2288 1.8199 2* 42002 CH2CO 835 4.0138 3.8218 3.5358 3.1092 2.6600 2.1965 1.6774 1 42003 NH2CN 13898 4.2529 4.0503 3.7582 3.2381 2.7043 2.1844 1.6445 1 42004 CaD 501 2.7628 2.6379 2.4624 2.1639 1.8687 1.5797 1.3032 1 42005 K-41-H 40 1.8000 1.6720 1.4960 1.1990 0.9071 0.6249 0.3624 1 42006 C-13-H3CN 9015 4.4949 4.3074 4.0433 3.5920 3.1421 2.7054 2.2965 1* 42007 CH3C-13-N 8951 4.4824 4.2949 4.0308 3.5795 3.1297 2.6930 2.2842 1* 42008 CH2DCN 19256 3.9632 3.7757 3.5115 3.0602 2.6093 2.1593 1.7109 1* 42009 H2CSi 670 3.7963 3.6097 3.3454 2.8938 2.4441 2.0124 1.6312 1* 42010 SiN 614 3.2345 3.1109 2.9353 2.6351 2.3361 2.0390 1.7461 1* 43001 CHDCO 886 3.8250 3.6375 3.3700 2.9184 2.4710 2.0218 1.5740 1 43002 HNCO 6078 3.8913 3.7096 3.4475 2.9969 2.5473 2.1122 1.7509 1 43003 AlO 1023 3.5940 3.4691 3.2931 2.9926 2.6930 2.3947 2.0994 1 43004 CP 397 3.0212 2.8964 2.7206 2.4206 2.1217 1.8251 1.5329 1* 44001 CS 51 2.4074 2.2829 2.1071 1.8072 1.5084 1.2118 0.9199 2 44002 SiO 31 2.4582 2.3342 2.1594 1.8593 1.5602 1.2632 0.9703 2 44003 CH3CHO-a 1347 4.0832 3.8958 3.6317 3.1801 2.7286 2.2794 1.8310 1 44004 N2O 104 2.6974 2.5725 2.3965 2.0961 1.7962 1.4975 1.2011 2* 44005 CH3CHO-e 691 4.0832 3.8958 3.6317 3.1801 2.7286 2.2775 1.8280 1 44006 DNCO 5504 3.9755 3.8265 3.5931 3.1548 2.7051 2.2574 1.8327 1 44007 HN-15-CO 888 3.4117 3.2402 2.9845 2.5348 2.0843 1.6466 1.2793 1 44008 HNC-13-O 4332 3.8722 3.7016 3.4466 2.9974 2.5478 2.1126 1.7510 1 44009 N2O-v2 254 2.6974 2.5725 2.3965 2.0961 1.7962 1.4975 1.2011 2* 44010 HCP 34 2.4942 2.3710 2.1955 1.8953 1.5961 1.2988 1.0052 1 44011 AlOH 766 3.3780 3.2530 3.0771 2.7766 2.4770 2.1788 1.8836 1 44012 N2O-2v2 293 2.6974 2.5725 2.3965 2.0961 1.7962 1.4975 1.2011 2* 44013 C3H8 183835 6.1974 5.8585 5.4628 4.9228 4.4622 4.0118 3.5630 2* 45001 C-13-S 29 2.4324 2.3080 2.1321 1.8321 1.5331 1.2364 0.9440 2 45002 Si-29-O 66 2.4637 2.3408 2.1649 1.8647 1.5656 1.2686 0.9755 1 45003 NH2CHO 3476 4.4647 4.2667 4.0134 3.5603 3.1117 2.6620 2.2141 2 45005 HCS+ 64 2.4676 2.3427 2.1669 1.8668 1.5677 1.2706 0.9775 1 45006 HNCO-18 4929 3.9097 3.7316 3.4713 3.0208 2.5712 2.1359 1.7741 1 45007 NN-15-O 104 2.6974 2.5725 2.3966 2.0961 1.7962 1.4975 1.2011 2* 45008 N-15-NO 106 2.7123 2.5874 2.4114 2.1109 1.8110 1.5122 1.2157 2* 45009 DCP 34 2.5620 2.4407 2.2657 1.9655 1.6660 1.3681 1.0734 1 45010 HOCO+ 1745 3.3749 3.2288 2.9990 2.5630 2.1126 1.6693 1.2847 1 45011 AlOD 70 2.6449 2.5199 2.3439 2.0434 1.7436 1.4452 1.1494 1 45012 O-17-CO 285 3.5195 3.3946 3.2187 2.9181 2.6181 2.3192 2.0224 1 45013 PN v=0-4 1637 2.9037 2.7782 2.6023 2.3023 2.0034 1.7067 1.4144 1* 46001 CS-34 34 2.4144 2.2899 2.1141 1.8141 1.5153 1.2187 0.9267 2 46002 Si-30-O 67 2.4689 2.3449 2.1700 1.8699 1.5708 1.2736 0.9805 1 46003 H2CS 517 3.7770 3.5753 3.3199 2.8751 2.4243 1.9599 1.4397 1 46004 C2H5OH 52180 4.6588 4.4539 4.1557 3.6135 3.0304 2.4638 1.9804 4* 46005 HCOOH 1888 3.9486 3.7612 3.4971 3.0357 2.5949 2.1461 1.6984 1 46006 NO2 16444 4.1306 3.9426 3.6780 3.2263 2.7755 2.3260 1.8791 2 46007 N2O-18 107 2.7224 2.5975 2.4215 2.1210 1.8210 1.5222 1.2256 2* 46008 CH3OCH3 21735 5.3580 5.1838 4.9253 4.4746 4.0238 3.5737 3.1254 1 46009 AlF 1188 3.3579 3.2330 3.0570 2.7565 2.4570 2.1590 1.8640 1 46010 NS 2402 3.3385 3.1789 2.9576 2.6138 2.3057 2.0023 1.6965 1 46011 DOCO+ 677 3.5187 3.3761 3.1508 2.7184 2.2682 1.8184 1.3807 1 46012 HOC-13-O+ 1735 3.3752 3.2290 2.9992 2.5632 2.1128 1.6695 1.2848 1 46013 O-18-CO 91 2.7535 2.6286 2.4526 2.1521 1.8520 1.5530 1.2561 1 47001 H2C-13-S 110 3.7938 3.6064 3.3253 2.8908 2.4222 1.9743 1.4566 1 47002 HC-13-OOH 16515 3.9558 3.7682 3.5040 3.0527 2.6021 2.1524 1.7047 2* 47003 DCOOH 21405 4.0233 3.8357 3.5715 3.1203 2.6695 2.2198 1.7720 2* 47004 HCOOD 18903 3.9988 3.8113 3.5471 3.0958 2.6451 2.1954 1.7475 2* 47005 PO+ v=0-4 239 2.4260 2.3007 2.1249 1.8248 1.5260 1.2293 0.9370 1* 47006 PO 743 3.1875 3.0284 2.8083 2.4678 2.1659 1.8745 1.5928 1* 47007 HONO 54411 4.0778 3.8606 3.5486 3.0215 2.5391 2.0866 1.6391 1* 47008 cis-DCOOH 22490 4.0147 3.8272 3.5630 3.1117 2.6610 2.2112 1.7633 1* 47009 cis-HCOOD 17502 3.9714 3.7839 3.5197 3.0684 2.6176 2.1676 1.7198 1* 47010 cis-HC-13-OO 15887 3.9418 3.7542 3.4900 3.0387 2.5880 2.1383 1.6906 1* 48001 SO 330 2.9295 2.8009 2.6175 2.2956 1.9559 1.5897 1.2015 1 48002 SO-v1 261 2.9295 2.8009 2.6175 2.2956 1.9559 1.5897 1.2015 1 48003 H2CS-34 111 3.7842 3.6593 3.3326 2.8811 2.4137 1.9652 1.4473 1 48004 O3 7133 3.5505 3.3484 3.0787 2.6268 2.1762 1.7267 1.2796 4* 48005 O3-v2 4911 3.5505 3.3484 3.0787 2.6268 2.1762 1.7267 1.2796 4* 48006 O3-v1,3 9619 3.5505 3.3484 3.0787 2.6268 2.1762 1.7267 1.2796 4* 48007 O3-2v2 3014 3.5505 3.3484 3.0787 2.6268 2.1762 1.7267 1.2796 3* 48008 O3-v1,3+v2 10912 3.5506 3.3484 3.0787 2.6268 2.1762 1.7267 1.2796 1 48009 NS-34 2364 3.3463 3.1867 2.9655 2.6217 2.3136 2.0102 1.7045 1 48010 SO+ 194 2.8024 2.6485 2.4461 2.1352 1.8391 1.5486 1.2687 1* 48011 CH3OOH 46191 5.0272 4.8346 4.5605 4.0812 3.5811 3.0567 2.5303 1* 49001 O3-sym-O-17 26092 4.3181 4.1306 3.8665 3.4159 2.9676 2.5243 2.0930 2 49002 O3-asym-O-17 52613 4.6243 4.4367 4.1725 3.7217 3.2727 2.8276 2.3912 2 49003 C4H 742 3.7206 3.5959 3.4198 3.1190 2.8183 2.5182 2.2189 1 49004 MgCCH 274 3.3976 3.2727 3.0966 2.7956 2.4950 2.1949 1.8957 1 50001 S-34-O 280 2.9380 2.8093 2.6260 2.3039 1.9640 1.5972 1.2081 1 50002 SO-18 179 2.9626 2.8296 2.6500 2.3280 1.9873 1.6191 1.2275 1 50003 O3-sym-O-18 3184 3.5472 3.3599 3.0959 2.6453 2.1947 1.7452 1.2980 2 50004 O3-asym-O-18 7304 3.8582 3.6708 3.4065 2.9562 2.5055 2.0560 1.6086 2 50005 O3-s-O18-v2 2387 3.5472 3.3599 3.0959 2.6453 2.1947 1.7452 1.2980 1 50006 O3-a-O18-v2 4213 3.8582 3.6708 3.4065 2.9562 2.5055 2.0560 1.6086 1 50007 CH3Cl-35 10053 4.4488 4.2528 3.9857 3.5324 3.0811 2.6472 2.2405 2* 50008 C3N 1351 3.8798 3.7550 3.5790 3.2781 2.9775 2.6774 2.3782 1 50009 MgCN 273 3.3904 3.2655 3.0893 2.7884 2.4878 2.1877 1.8885 1 50010 MgNC 269 3.3220 3.1969 3.0208 2.7119 2.4193 2.1194 1.8205 1 51001 HCCCN 139 3.6154 3.4905 3.3144 3.0135 2.7129 2.4127 2.1134 3* 51002 ClO 2585 3.5250 3.3632 3.1537 2.8384 2.5457 2.2632 1.9987 3 51003 ClO-v1 2112 3.5250 3.3632 3.1537 2.8384 2.5457 2.2632 1.9987 1 51004 HCCNC 563 3.5770 3.4522 3.2762 2.9753 2.6747 2.3746 2.0754 1 51005 HCCNC-v7 291 3.5770 3.4522 3.2762 2.9753 2.6747 2.3746 2.0754 1 51006 HCCNC-v6 291 3.5770 3.4522 3.2762 2.9753 2.6747 2.3746 2.0754 1 51007 HCCNC-v5 278 3.5770 3.4522 3.2762 2.9753 2.6747 2.3746 2.0754 1 51008 HNCCC 574 3.6039 3.4792 3.3032 3.0023 2.7017 2.4015 2.1022 1 52001 HCCC-13-N 152 3.6170 3.4922 3.3162 3.0153 2.7147 2.4145 2.1152 1 52002 HCC-13-CN 146 3.6171 3.4923 3.3162 3.0154 2.7148 2.4146 2.1152 1 52003 HC-13-CCN 144 3.6289 3.5041 3.3280 3.0272 2.7265 2.4263 2.1269 1 52004 HCCCN-15 99 3.1509 3.0261 2.8501 2.5492 2.2486 1.9484 1.6490 1 52005 DCCCN 156 3.6477 3.5228 3.3468 3.0460 2.7453 2.4450 2.1456 1 52006 HOCl 40352 3.9788 3.7911 3.5268 3.0756 2.6252 2.1779 1.7662 4* 52007 SiCC 304 3.4817 3.3737 3.1906 2.8021 2.3602 1.9105 1.4628 2 52008 CCCO 51 3.1132 2.9888 2.8129 2.5121 2.2115 1.9114 1.6121 1 52009 CH3Cl-37 6403 4.4558 4.2531 3.9927 3.5394 3.0881 2.6541 2.2488 2* 52010 CH2F2 11942 4.7435 4.5317 4.2551 3.8010 3.3502 2.9003 2.4522 1 52011 CH2F2-v4 7808 4.7435 4.5317 4.2551 3.8010 3.3502 2.9003 2.4522 1 52012 DNCCC 3098 4.1065 3.9819 3.8059 3.5051 3.2044 2.9042 2.6048 1 52013 CNCN 1105 4.0365 3.9117 3.7356 3.4348 3.1342 2.8342 2.5350 2* 53001 C2H3CN 75697 5.0769 4.8334 4.5016 3.9982 3.5418 3.0909 2.6410 3* 53002 Cl-37-O 2624 3.5327 3.3706 3.1611 2.8457 2.5528 2.2700 2.0049 3 53003 C-13-CCO 99 3.1304 3.0054 2.8294 2.5285 2.2279 1.9277 1.6284 1 53004 CC-13-CO 99 3.1164 2.9915 2.8154 2.5146 2.2139 1.9138 1.6145 1 53005 CCC-13-O 99 3.1152 2.9902 2.8142 2.5133 2.2127 1.9126 1.6133 1 53006 Cl-37-O-v1 2132 3.5327 3.3706 3.1611 2.8457 2.5528 2.2700 2.0049 1 53007 C2H3NC 9362 4.3574 4.1839 3.9262 3.4753 3.0239 2.5731 2.1233 1 53008 HNCCN+ 99 3.1486 3.0240 2.8480 2.5471 2.2465 1.9463 1.6469 1* 54001 CH2CHC-13-N 118 4.4205 4.2331 3.9690 3.5174 3.0659 2.5545 2.1409 1 54002 CH2C-13-HCN 117 4.4259 4.2385 3.9744 3.5228 3.0713 2.5598 2.1462 1 54003 C-13-H2CHCN 116 4.4328 4.4254 3.9813 3.5297 3.0782 2.5645 2.1514 1 54004 CH2CDCN 6381 4.4739 4.2866 4.0222 3.5704 3.1190 2.6682 2.2182 2* 54005 HOCl-37 40627 3.9864 3.7987 3.5344 3.0832 2.6328 2.1854 1.7736 4* 54006 CCCO-18 99 3.1361 3.0112 2.8351 2.5342 2.2336 1.9334 1.6341 1 54007 HCCCHO 8407 4.2914 4.1379 3.8988 3.4558 3.0044 2.5535 2.1035 1 55001 C2H5CN 52883 4.5728 4.3853 4.1209 3.6691 3.2178 2.7669 2.3169 4* 55002 CaCH3 5775 4.6761 4.4883 4.2239 3.7723 3.3226 2.8883 2.4814 1* 56001 CH3CH2C-13-N 1183 5.0510 4.8530 4.5996 4.1024 3.6647 3.1505 2.8159 2 56002 CH3C-13-H2CN 1252 5.0557 4.8577 4.6043 4.1071 3.6694 3.1552 2.8206 2 56003 C-13-H3CH2CN 1183 5.0618 4.8638 4.6104 4.1132 3.6755 3.1612 2.8267 2 56004 C2H5CN-15 1621 4.5850 4.3976 4.1335 3.5984 3.1882 2.7768 2.3302 1 56005 CH2DCH2CN-s 1166 5.0748 4.8768 4.6232 4.1717 3.7202 3.2523 2.7839 2 56006 CH2DCH2CN-a 1286 5.0830 4.8850 4.6316 4.1799 3.7284 3.2618 2.7947 2 56007 CCS 563 3.4539 3.3264 3.1450 2.8286 2.4980 2.1426 1.7518 1 56008 C2H3CHO 24051 4.4085 4.2407 3.9959 3.5540 3.1030 2.6523 2.2023 1 56009 MgS 99 2.8934 2.7683 2.5922 2.2913 1.9910 1.6914 1.3933 1* 56010 HCCCH2OH 104073 4.8136 4.6222 4.3448 3.8547 3.3400 2.8075 2.2976 1* 57001 C-13CS 1013 3.7748 3.6472 3.4658 3.1493 2.8185 2.4628 2.0712 1 57002 CC-13S 1015 3.7570 3.6294 3.4481 3.1317 2.8010 2.4456 2.0547 1 57003 HCCCH2OD 22458 4.6839 4.5595 4.3546 3.9323 3.4587 2.9605 2.4376 1* 58001 CCS-34 565 3.4635 3.3359 3.1546 2.8381 2.5074 2.1519 1.7607 1 58002 NaCl 99 2.9835 2.8583 2.6820 2.3810 2.0804 1.7805 1.4819 1 58003 CH3COCH3 61834 7.1904 6.7212 6.1567 5.1290 4.7774 4.3268 3.9163 1* 60001 OCS 99 3.0121 2.8874 2.7113 2.4104 2.1100 1.8101 1.5113 2 60002 SiS 97 2.8382 2.7136 2.5376 2.2369 1.9366 1.6372 1.3396 1 60003 CH3OCHO-A 16153 4.8119 4.6245 4.3602 3.9086 3.4574 3.0066 2.5568 1 60004 CH3OCHO-E 17260 4.8119 4.6245 4.3602 3.9086 3.4574 3.0066 2.5568 1 60005 NaCl-37 99 2.9929 2.8677 2.6914 2.3904 2.0898 1.7899 1.4912 1 60006 HCOCH2OH 73527 4.8335 4.5751 4.2127 3.6658 3.2008 2.7498 2.3001 1* 61001 OC-13-S 99 3.0135 2.8887 2.7126 2.4119 2.1114 1.8115 1.5127 2 61002 Si-29-S 98 2.8462 2.7217 2.5456 2.2449 1.9446 1.6452 1.3475 1 61003 C5H 2594 4.2860 4.1602 3.9715 3.6294 3.2620 2.8809 2.5298 1 61004 NH2CH2CH2OH 282599 5.1509 4.8766 4.4797 3.8392 3.3150 2.8554 2.4053 1* 62001 OC-34-S 99 3.0228 2.8908 2.7220 2.4212 2.1207 1.8208 1.5219 2 62002 O-18-CS 99 3.0398 2.9151 2.7389 2.4382 2.1377 1.8377 1.5388 2 62003 Si-30-S 99 2.8539 2.7293 2.5532 2.2525 1.9523 1.6528 1.3550 1 62004 SiS-34 99 2.8502 2.7257 2.5496 2.2489 1.9486 1.6492 1.3515 1 62005 AlCl 11525 4.3144 4.1894 4.0132 3.7123 3.4119 3.1121 2.8138 1 62006 C5D 4436 4.4842 4.3601 4.1723 3.8303 3.4630 3.0818 2.7305 1 63001 HNO3 129631 5.0424 4.7830 4.4802 4.0205 3.5694 3.1189 2.6697 4* 63002 HNO3-v7 8821 5.0424 4.7830 4.4802 4.0205 3.5694 3.1189 2.6697 2* 63003 HNO3-v9 83672 5.0424 4.7830 4.4802 4.0205 3.5694 3.1189 2.6697 2* 63004 HNO3-v6 66984 5.0424 4.7830 4.4802 4.0205 3.5694 3.1189 2.6697 2* 63005 HNO3-v8 58560 5.0424 4.7830 4.4802 4.0205 3.5694 3.1189 2.6697 2* 63006 HNO3-v5/2v9 34916 5.0424 4.7830 4.4802 4.0205 3.5694 3.1189 2.6697 2* 63007 PS 2340 3.5468 3.3813 3.1691 2.8501 2.5501 2.2529 1.9596 1* 63008 PO2 7323 4.3193 4.1331 3.8684 3.4159 2.9641 2.5130 2.0629 1* 63009 HOONO 168036 4.9240 4.7364 4.4721 4.0205 3.5694 3.1189 2.6695 2* 64001 S2 174 2.9954 2.8607 2.6651 2.3091 1.9145 1.4876 1.0947 2 64002 SO2 13573 3.7722 3.5845 3.3202 2.8687 2.4177 1.9677 1.5194 4* 64003 AlCl-37 11326 4.3248 4.1997 4.0235 3.7226 3.4222 3.1224 2.8240 1 64004 C4O 535 3.9012 3.7760 3.5994 3.2969 2.9931 2.6866 2.3749 1* 64005 SO2-v2 9225 3.7685 3.5808 3.3164 2.8649 2.4139 1.9639 1.5156 1* 64006 H35ClCO 113626 4.8285 4.6409 4.3765 3.9249 3.4737 3.0231 2.5736 1* 64007 H15NO3 36935 4.4465 4.2590 3.9948 3.5433 3.0923 2.6419 2.1926 1* 64008 DNO3 56528 4.4697 4.2822 4.0180 3.5665 3.1155 2.6650 2.2157 1* 65001 S-33-O2 19048 4.3781 4.1904 3.9260 3.4745 3.0236 2.5736 2.1253 1* 65002 H18ONO2 40392 4.4709 4.2834 4.0191 3.5677 3.1166 2.6662 2.2168 1* 65003 HON18OO 44692 4.4710 4.2835 4.0193 3.5679 3.1168 2.6663 2.2170 1* 65004 HONO18O 17737 4.4708 4.2833 4.0191 3.5677 3.1166 2.6661 2.2168 1* 66001 COF2 23090 4.7883 4.6008 4.3366 3.8852 3.4341 2.9836 2.5342 1 66002 S-34-O2 11894 3.7797 3.5919 3.3276 2.8761 2.4252 1.9751 1.5268 2* 66003 CaNC 259 3.4903 3.3658 3.1895 2.8884 2.5875 2.2871 1.9876 1 66004 SOO-18 9758 4.1040 3.9163 3.6520 3.2004 2.7495 2.2994 1.8509 1* 66005 H37ClCO 113891 4.8384 4.6508 4.3864 3.9348 3.4836 3.0330 2.5835 1* 67001 OCl-35-O 57232 4.7203 4.5492 4.2856 3.8365 3.3906 2.9506 2.5223 2* 68001 CCCS 99 3.3309 3.2093 3.0341 2.7332 2.4325 2.1320 1.8320 1 69001 OCl-37-O 49388 4.7195 4.5429 4.2827 3.8315 3.3805 2.9304 2.4819 2* 69002 C3H7CN 131349 5.1410 4.9350 4.6282 4.0863 3.5714 3.1062 2.6550 1 70001 CCCS-34 99 3.3410 3.2198 3.0448 2.7439 2.4431 2.1426 1.8426 1 71001 MnO 12510 4.1718 4.0466 3.8686 3.5617 3.2500 2.9313 2.6068 1* 71002 NF3 4033 4.4444 4.2569 3.9927 3.5413 3.0905 2.6406 2.1923 1* 72001 CaS 382 3.1250 2.9726 2.7779 2.4716 2.1709 1.8708 1.5718 1* 73001 C6H 3031 4.4884 4.3862 4.2192 3.8961 3.5465 3.1726 2.7971 1 74001 KCl 99 3.2114 3.0871 2.9108 2.6097 2.3089 2.0085 1.7088 1 74002 C2H5OOCH 60671 5.0795 4.8985 4.6152 4.0883 3.5602 3.0782 2.6249 1 74003 C3H6O2 60054 5.5087 5.3282 5.0667 4.6115 4.1519 3.6851 3.2051 1* 75001 HCCCCCN 99 3.6717 3.5206 3.3645 3.0697 2.7688 2.4680 2.1675 1 75002 H2NCH2COOH I 68326 5.0965 5.0023 4.8368 4.4680 4.0315 3.5809 3.1305 1 75003 H2NCH2COOH II 44300 5.0965 5.0023 4.8368 4.4680 4.0315 3.5809 3.1305 1 76001 HCCCCC-13-N 99 3.6760 3.5376 3.3686 3.0740 2.7731 2.4723 2.1718 1 76002 HCCCC-13-CN 99 3.6721 3.5337 3.3649 3.0700 2.7692 2.4684 2.1679 1 76003 HCCC-13-CCN 99 3.6721 3.5337 3.3650 3.0701 2.7693 2.4685 2.1680 1 76004 HCC-13-CCCN 99 3.6762 3.5378 3.3687 3.0741 2.7733 2.4725 2.1720 1 76005 HC-13-CCCCN 99 3.6831 3.5441 3.3752 3.0811 2.7803 2.4795 2.1789 1 76006 HCCCCCN-15 99 3.6825 3.5435 3.3747 3.0804 2.7796 2.4788 2.1783 1 76007 DCCCCCN 99 3.6918 3.5520 3.3833 3.0897 2.7889 2.4881 2.1875 1 76008 KCl-37 99 3.2237 3.0995 2.9234 2.6222 2.3214 2.0210 1.7213 1 76009 C4Si 229 3.6104 3.4854 3.3093 3.0083 2.7074 2.4066 2.1062 1 76010 C5O 99 3.6604 3.5354 3.3593 3.0583 2.7574 2.4566 2.1561 1* 79001 HOONO2 50775 5.0793 4.9375 4.6972 4.2216 3.7512 3.2982 2.8469 1 80001 HBr-79 143 2.0146 1.8941 1.7271 1.4527 1.2017 0.9900 0.8410 2 81001 Cl-35-NO2 3520 4.9422 4.7423 4.4680 4.0122 3.5608 3.1099 2.6597 1* 82001 HBr-81 143 2.0147 1.8943 1.7272 1.4528 1.2018 0.9901 0.8410 2 88001 C6O 567 4.3424 4.2169 4.0398 3.7359 3.4290 3.1165 2.7931 1* 89001 Sr-88-H 391 2.3668 2.2409 2.0658 1.7694 1.4782 1.1975 0.9381 1 90001 Sr-88-D 922 2.8419 2.7112 2.5336 2.2345 1.9384 1.6476 1.3673 1 90002 C3O3H6 - DHA 79158 5.5789 5.3479 4.9968 4.3768 3.8317 3.3660 2.9147 1* 92001 C5S 99 3.7183 3.6406 3.5066 3.2277 2.9280 2.6271 2.3264 1 94001 C5-34-S 99 3.7244 3.6480 3.5158 3.2385 2.9389 2.6381 2.3374 1 95001 Br-79-O 1892 3.5956 3.4672 3.2900 2.9885 2.6867 2.3844 2.0804 2* 95002 Br-79-O v=1 1314 3.5956 3.4672 3.2900 2.9885 2.6867 2.3844 2.0804 1* 96001 HOBr-79 9898 4.1320 3.9443 3.6800 3.2285 2.7777 2.3296 1.9163 1 96002 S3 12039 4.5007 4.3194 4.0568 3.6051 3.1535 2.7024 2.2517 1* 97001 Br-81-O 1892 3.5974 3.4690 3.2918 2.9903 2.6886 2.3862 2.0823 2* 97002 Cl-35-ONO2 78323 5.7884 5.5709 5.2587 4.7332 4.2527 3.7991 3.3484 2* 97003 Br-81-O v=1 1313 3.5974 3.4690 3.2918 2.9903 2.6886 2.3862 2.0823 1* 98001 H2SO4 20939 5.1930 5.0055 4.7413 4.2898 3.8385 3.3876 2.9375 3* 98002 HOBr-81 9920 4.1339 3.9462 3.6818 3.2304 2.7796 2.3315 1.9182 1 99001 Cl-37-ONO2 49505 5.7993 5.5818 5.2697 4.7441 4.2637 3.8101 3.3593 2* 99002 HC7N 518 4.2958 4.2417 4.1427 3.9079 3.6185 3.3179 3.0171 1 100001 C7O 99 4.0379 3.9130 3.7369 3.4359 3.1349 2.8339 2.5331 1* 102001 ClOOCl 17266 5.6303 5.4429 5.1793 4.7274 4.2757 3.8244 3.3735 1 102002 ClClOO 15078 4.9562 4.7685 4.5040 4.0522 3.6007 3.1496 2.6991 1* 104001 Cl-37-OOCl 17482 5.6427 5.4552 5.1915 4.7398 4.2880 3.8367 3.3858 1 111001 OBr-79-O 52631 4.9645 4.7773 4.5135 4.0637 3.6164 3.1738 2.7403 1* 112001 Se-80-O2 7484 4.0326 3.8449 3.5805 3.1288 2.6777 2.2273 1.7782 1 112002 C8O 644 4.6672 4.5413 4.3631 4.0560 3.7429 3.4182 3.0722 1* 113001 OBr-81-O 52840 4.9663 4.7779 4.5154 4.0656 3.6183 3.1757 2.7422 1* 123001 HC9N 99 3.9030 3.8724 3.8137 3.6572 3.4191 3.1285 2.8278 1 124001 C9O 100 4.3271 4.2030 4.0270 3.7260 3.4250 3.1240 2.8231 1* 128001 S4 26640 5.1824 5.0196 4.7685 4.3192 3.8677 3.4163 2.9653 1* 147001 HC11N 99 4.5521 4.4379 4.2663 3.9659 3.6648 3.3638 3.0629 2*