1. MICROWAVE SPECTRUM OF 12 C 16 O S.A. TASHKUN and S.N. MIKHAILENKO, Laboratory of Theoretical Spectroscopy, V.E. Zuev Institute of Atmospheric Optics, Zuev square 1, 634021, Tomsk, RUSSIA

2. Motivation Calculate microwave rotational transition frequencies with confidence intervals up to J = 50 for the 0-0, 1-1, 2-2, and 3-3 bands using experimental energy levels derived from measured transition frequencies Compare them with data in COLOGNE 1, JPL 2, NIST 3, and HITRAN 4 databanks 1) H.S.P. Muller et al, J Mol Struct 742 215–227 (2005) 2) H.M. Pickett et al, JPL Catalog (2000), spec.jpl.nasa.gov 3) F.J. Lovas, www.nist.gov/physlab/data/msd-di/index.cfm 4) L.S. Rothman et al, JQSRT, 110, 553 (2009)

3. Experimental energy levels Measured transition frequencies and measurement uncertainties collected from the literature Ritz computer code

4. Derivation of energy levels Ideally: In reality: More detail in S.A. Tashkun et al JQSRT 111, 1106 (2010) c s – correction factors for some spectra (for microwave spectra c s =0) - measurement uncertainty - pressure induced shift Finally: c s, {E} are unknowns Portrait of the correlation matrix Values and uncertainties of experimental energy levels N tra = 15797 N lev = 2247 Χ = 0.71

5. assign RITZ(MHz) unc(KHz) COLOGNE(MHz) unc(KHz) JPL(MHz) unc(KHz) NIST(MHz) unc(KHz) 1 0 115271.2017 0.3 115271.2018 0.5 115271.2018 0.5 115271.202 2.0 2 1 230538.0001 0.4 230538.0000 0.5 230538.0000 0.5 230538.000 2.0 3 2 345795.9902 0.4 345795.9899 0.5 345795.9899 0.5 345795.991 2.0 4 3 461040.7682 0.3 461040.7682 0.5 461040.7682 0.5 461040.770 2.0 5 4 576267.9304 0.3 576267.9305 0.5 576267.9305 0.5 576267.922 32.0 6 5 691473.0765 0.4 691473.0763 0.5 691473.0763 0.5 691473.090 12.0 7 6 806651.8057 3.2 806651.806 5.0 806651.806 5.0 806651.719 10.0 8 7 921799.7027 3.1 921799.700 5.0 921799.700 5.0 921799.711 10.0 9 8 1036912.3958 3.1 1036912.393 5.0 1036912.393 5.0 1036912.403 10.0 10 9 1151985.4533 5.5 1151985.452 11.0 1151985.452 1.0 1151985.454 11.0 1110 1267014.4895 3.2 1267014.486 5.0 1267014.486 5.0 1267014.504 10.0 1211 1381995.1069 6.4 1381995.105 13.0 1381995.105 13.0 1381995.110 13.0 1312 1496922.9122 6.0 1496922.909 12.0 1496922.909 12.0 1496922.915 12.0 1413 1611793.5178 5.6 1611793.518 11.0 1611793.518 11.0 1611793.517 11.0 1514 1726602.5082 40.5 1726602.507 1.5 1615 1841345.5091 5.5 1841345.506 11.0 1841345.506 11.0 1841345.512 11.0 1716 1956018.1407 5.5 1956018.139 11.0 1956018.139 11.0 1956018.142 11.0 1817 2070615.9957 7.0 2070615.993 14.0 2070615.993 14.0 2070615.998 14.0 1918 2185134.6823 6.5 2185134.680 13.0 2185134.680 13.0 2185134.685 13.0 2019 2299569.8435 5.0 2299569.842 10.0 2299569.842 10.0 2299569.865 10.0 2120 2413917.1158 5.5 2413917.113 11.0 2413917.113 11.0 2413917.118 11.0 2221 2528172.0603 5.5 2528172.060 11.0 2528172.060 11.0 2528172.060 11.0 2322 2642330.5358 356. 2642330.346 3.7 2423 2756387.5871 8.5 2756387.584 17.0 2756387.584 17.0 2756387.590 17.0 2524 2870339.4106 6.5 2870339.407 13.0 2870339.407 13.0 2870339.414 13.0 2625 2984181.4585 7.0 2984181.455 14.0 2984181.455 14.0 2984181.461 14.0 2726 3097909.3640 8.5 3097909.361 17.0 3097909.361 17.0 3097909.360 17.0 2827 3211518.6908 851. 3211518.750 4.2 2928 3325011.0883 1020. 3325005.282 4.2 3029 3438364.6145 5.0 3438364.611 10.0 3438364.611 10.0 3438364.618 10.0 3130 3551592.3631 5.0 3551592.361 10.0 3551592.361 10.0 3551592.365 10.0 3231 3664685.1208 1406. 3664684.179 5.0 3332 3777635.7295 8.0 3777635.728 16.0 3777635.728 16.0 3777635.731 16.0 3433 3890442.7214 6.5 3890442.717 13.0 3890442.717 13.0 3890442.744 13.0 3534 4003102.9236 1681. 4003100.789 8.9 3635 4115605.5887 11.0 4115605.585 22.0 4115605.585 22.0 4115605.592 22.0 3736 4227955.2821 1743. 4227952.780 14.0 38 37 4340138.1181 22.0 4340138.112 43.0 4340138.112 43.0 4340138.124 43.0 Pure rotational spectrum Blue – measured frequencies; red – calculated frequencies

6. Pure rotational spectrum (extrapolation) assign RITZ(MHz) unc(KHz) JPL(MHz) unc(KHz) RITZ - JPL(KHz) 3938 4452159.358 2327. 4452157.136 21.2 2223. 4039 4564002.889 3170. 4564005.660 25.8 -2772. 4140 4675677.306 4584. 4675679.336 30.9 -2029. 4241 4787169.751 5590. 4787173.860 36.9 -4109. 4342 4898488.830 5723. 4898484.933 43.5 3897. 4443 5009605.681 6255. 5009608.264 51.0 -2583. 4544 5120550.571 6714. 5120539.564 59.4 11006. 4645 5231255.602 7003. 5231274.551 68.8 -18949. 4746 5341799.211 7102. 5341808.947 79.2 -9736. 4847 5452151.699 7585. 5452138.482 90.8 13217. 4948 5562363.412 9337. 5562258.888 103.5 104524. 5049 5672073.401 10045. 5672165.908 117.5 -92507. Energy levels: E 0,49 = 4673.54169 ± 0.00048 cm -1 Ntra = 6 Refs: a b c d e f E 0,48 = 4488.00156 ± 0.00046 cm -1 Ntra = 10 Refs: a b c d e f g a 1.0 R. Farrenq et al, JMS 149, 375 (1991); FT/solar absorption filter 2 b 0.99999990 R. Farrenq et al, JMS 149, 375 (1991); FT/solar absorption filter 3 c 0.99999990 R. Farrenq et al, JMS 149, 375 (1991); FT/solar absorption filter 4 d 1.0 G. Guelachvili et al, JMS 98, 64 (1983) FT/set C e 1.0 A.W. Mantz and J.P. Maillard, JMS 53, 466 (1974); FT/emission f 1.00000030 D.H. Rank et al, JMS 18, 418 (1965) g 0.99999980 D.H. Rank et al, JMS 4, 518 (1960) Consider: 49 48 5562363.412 9337. 5562258.888 103.5 104524. 5562258.888

7. F.J. Lovas, NIST recommended rest frequencies for observed inter- stellar molecular microwave transitions-2002 revision. J. Phys. Chem. Ref. Data, 33, 177 (2004)

8. RITZ vs HITRAN-2008 Residuals Uncertainties zoom 100 microwave transitions spectral range 3.8 – 189.2 cm -1 intensity range 3.19 10 -33 - 1.45 10 -21 cm/molecule position uncertainty 10 -4 – 10 -5 cm -1

9. Conclusions Microwave transition frequencies of the 0-0,1-1,2-2, and 3-3 bands up to J=50 calculated from experimental energy levels * were presented. Each frequency is given together with 99% confidence interval. A comparison of calculated data and data from COLOGNE, JPL, NIST, and HITRAN databanks revealed a number of discrepancies which should be removed in future releases of these databanks *) S.A. Tashkun et al JQSRT 111, 1106 (2010)

10. Financial support We acknowledge support from a joint RFBR (09-05-92508- ИК_а) and CRDF (RUG1-2954-TO-09) grant.