| Molecule | PNNL | HITRAN | Other IR | UV/VIS | ||
|---|---|---|---|---|---|---|
| (cm-1) | (cm-1) | (cm-1) | (nm) | |||
| Acetaldehyde CH3CHO | 510-6500 | - | - | 113-184.2 | 202-365 | - |
| Acetic acid CH3COOH | 550-7100 | - | - | 210-244 | - | - |
| Acetol CH3C(O)CH2OH | - | - | - | 236-336 | - | - |
| Acetone (CH3)2CO | 580-6500 | - | - | 159-203 | 220-346 | - |
| Acetonitrile CH3CN | 600-6500 | - | - | 114-178 | - | - |
| Acetylene C2H2 | 600-6650 | 604-6685 | 3186-3375 | 147-201 | 137-201.5 | - |
| Acrolein CH2CHCHO | 600-6500 | - | - | 282-390 | - | - |
| Allene CH2CCH2 | 550-6500 | - | 730-940 | - | - | - |
| Allyl radical CH2CHCH2 | - | - | - | 210-232.5 | - | - |
| Ammonia NH3 | 540-7000 | 0-5295 | - | 10-230 | 6.2-225 | 170-226 |
| Benzene C6H6 | 510-6500 | - | 1017-1046 | 34.8-134.9 | 6.2-248 | - |
| Benzyl radical C7H7 | - | - | - | 220-275 | 235-316 | - |
| Bromine monoxide BrO | - | - | - | 286.5-384.9 | - | - |
| Butadiene CH2CHCHCH2 | 530-6500 | - | - | 160-240 | - | - |
| Butadiyne C4H2 | - | - | - | 100-310 | 121-173 | 160-260 |
| Butane C4H10 | 600-6500 | - | - | 5.6-165 | 51.2-96.7 | - |
| Butanol C4H9OH | 600-7300 | - | - | 52.6-133.5 | - | - |
| Butene CH2CHCH2CH3 | 525-6500 | - | - | - | - | - |
| Butyne C2H5CCH | - | - | - | 165-200 | - | - |
| Carbon dioxide CO2 | 550-6500 | 0-12784 | - | 0-205 | 118-175 | - |
| Carbon disulfide CS2 | 600-6000 | - | - | 280-350 | 31-248 | 180-228 |
| Carbon monoxide CO | 600-6500 | 3-8465 | - | 6.2-177 | 91.7-100.4 | - |
| Carbon tetrachloride CCl4 | 590-6500 | 750-812 | - | 175-290 | 50-200 | 3.1-225 |
| Carbonyl fluoride COF2 | 600-6500 | 725-1981 | - | 186-228.6 | - | - |
| Carbonyl sulfide OCS | 510-6500 | 0-4118 | - | 190-293 | 3.44-248 | 200-260 |
| Chlorine nitrate ClONO2 | - | 763-792 | 740-1790 | 196-432 | - | - |
| Chlorine oxide ClO | - | 0-1208 | - | 246-316 | - | - |
| Chloroform CHCl3 | 580-7200 | - | - | 50-150 | 180-256 | - |
| Chlorosulfonyl isocyanate ClSO2NCO | 550-6500 | - | - | - | - | - |
| Cyanogen C2N2 | 575-6500 | - | - | - | - | - |
| Cyclohexane C6H12 | 570-6500 | - | - | - | - | - |
| Cyclohexanol C6H12O | 600-7200 | - | - | - | - | - |
| Cyclohexanone C6H10O | 550-6500 | - | - | - | - | - |
| Cyclohexene C6H10 | 575-6500 | - | - | - | - | - |
| Cyclopentene C5H8 | 550-6500 | - | - | - | - | - |
| Cyclopropane C3H6 | 600-6500 | - | - | - | - | - |
| Diethyl ether (C2H5)2O | 600-6500 | - | - | 3.4-248 | 160-210 | - |
| Dimethyl disulfide (CH3S)2 | 600-6500 | - | - | 201-360 | - | - |
| Dimethyl ether (CH3)2O | 600-6500 | - | - | 6.2-248 | 160-210 | - |
| Dimethyl sulfide (CH3)2S | 600-6500 | - | - | 113-270 | - | - |
| Dimethyl sulfoxide (CH3)2SO | 600-6500 | - | - | - | - | - |
| Dinitrogen pentoxide N2O5 | - | - | - | 152-240 | 208-398 | - |
| Dinitrogen tetraoxide N2O4 | - | - | - | 200-390 | 185-390 | 320-430 |
| Dinitrogen trioxide N2O3 | - | - | - | 300-400 | - | - |
| Ethane C2H6 | 600-6500 | 720-3000 | - | 13.8-124.6 | 90-200 | 120-150 |
| Ethanol C2H5OH | 600-7500 | - | - | 6.2-248 | 46-200 | - |
| Ethylamine C2H5NH2 | 600-7000 | - | - | 86-258 | 137-241 | - |
| Ethylene C2H4 | 600-6500 | 700-3242 | - | 90-200 | .125-185.1 | - |
| Ethyl formate C2H5OOCH | 600-6500 | - | - | 211-260 | - | - |
| Ethyl nitrite C2H5ONO | 525-6500 | - | - | 195-290 | - | - |
| Ethyl radical C2H5 | - | - | - | 200-260 | - | - |
| Ethynyl radical C2H | - | - | 2.9-78 | 235-260 | - | - |
| Formaldehyde H2CO | 600-6500 | 0-3000 | - | 60-358 | 247-400 | 300.3-385.8 |
| Formic acid HCOOH | 540-7200 | 10-1234 | - | 195-250 | - | - |
| Furan C4H4O | 550-6500 | - | - | 34.8-139.7 | - | - |
| Glycidaldehyde C3H4O2 | - | - | - | 230-356 | - | - |
| Glycolaldehyde HOCH2CHO | - | - | - | 205-335 | - | - |
| Glyoxal (CHO)2 | - | - | - | 210-470 | 250-526 | - |
| Heptane C7H16 | 600-6500 | - | - | 5.6-177 | - | - |
| Heptene C7H14 | 600-6500 | - | - | - | - | - |
| Hexane C6H14 | 600-6500 | - | - | 5.6-177 | - | - |
| Hexatriyne C6H2 | - | - | - | 121-257 | - | - |
| Hydrazine N2H4 | 600-7050 | - | - | 191-291 | - | - |
| Hydrogen H2 | - | - | 4125-15535 | 17.7-124 | 555-up | - |
| Hydrogen bromide HBr | 600-6500 | 16-9760 | - | 140-240 | 31-177 | 150-238 |
| Hydrogen chloride HCl | 600-6500 | 20-13458 | - | 130-220 | 134-230 | 31-155 |
| Hydrogen cyanide HCN | 550-7000 | 0-3422 | - | 64-195 | - | - |
| Hydrogen fluoride HF | 900-6500 | 0-11535 | - | 8.3-155 | 107-145 | - |
| Hydrogen iodide HI | 600-6550 | 0-8487 | - | 170-230 | 198-341 | - |
| Hydrogen peroxide H2O2 | - | 0-1500 | - | 190-350 | - | - |
| Hydrogen sulfide H2S | 600-6500 | 3-4256 | - | 106-263 | 5-238 | - |
| Hydroperoxy radical HO2 | - | 0-3676 | - | 190-260 | - | - |
| Hydroxyl radical OH | - | 0-19267 | - | 278.7-335.5 | - | - |
| Hypobromous acid HOBr | - | 0-315 | - | 260-600 | - | - |
| Hypochlorous acid HOCl | - | 0-3800 | - | 200-440 | 200-550 | - |
| Iodine oxide IO | - | - | - | 340.7-447 | - | - |
| Isobutane C4H10 | 600-6500 | - | - | - | - | - |
| Isobutene C4H8 | 600-6500 | - | - | - | - | - |
| Isooctane C8H18 | 600-6500 | - | - | - | - | - |
| Isopentane C5H12 | 600-6500 | - | - | - | - | - |
| Isopropyl alcohol C3H7OH | 580-7300 | - | - | 30-119 | 120.5-208.3 | - |
| Isopropyl radical C3H7 | - | - | - | 205-270 | - | - |
| Ketene CH2CO | - | - | - | 290-450 | - | - |
| Methane CH4 | 600-6500 | 0-9200 | 0-10000 | 5.6-165 | 0-260 | 848-920 |
| Methanesulfonyl chloride CH3SO2Cl | 520-6500 | - | - | - | - | - |
| Methanol CH3OH | 500-7500 | 0-1407 | - | 3-207 | 106-198 | - |
| Methylamine CH3NH2 | 600-6750 | - | - | 4.9-225 | 138-249 | 111-270 |
| Methyl chloride CH3Cl | 600-5000 | 0-3173 | - | 3-207 | 174-236 | - |
| Methyl ethyl ether CH3OC2H5 | 600-6500 | - | - | 30-125 | - | - |
| Methyl ethyl ketone CH3COC2H5 | 550-6500 | - | - | 202-355 | - | - |
| Methyl fluoride CH3F | 600-6500 | - | - | 5-177 | - | - |
| Methyl formate HCOOCH3 | 600-6500 | - | - | 211-260 | - | - |
| Methyl mercaptan CH3SH | 600-6000 | - | - | 192.5-309.5 | - | - |
| Methyl nitrate CH3ONO2 | - | - | - | 236-344 | - | - |
| Methyl nitrite CH3ONO | 520-6500 | - | - | 190-285 | 190-440 | - |
| Methyl propyl ether CH3OC3H7 | - | - | - | 6.2-206.6 | - | - |
| Methyl radical CH3 | - | - | - | 215-217 | - | - |
| Methyl thionitrite CH3SNO | - | - | - | 190-440 | 280-560 | - |
| Methyl vinyl ketone CH2CHCOCH3 | 540-6500 | - | - | 250-395 | - | - |
| Nitrate radical NO3 | - | - | - | 403-691 | 476-794 | - |
| Nitric acid HNO3 | 720-6500 | 0-1770 | - | 105-210 | 196-350 | - |
| Nitric oxide NO | 600-5000 | 0-9273 | - | 6.5-207 | - | - |
| Nitroethane C2H5NO2 | 550-6500 | - | - | 205-320 | - | - |
| Nitrogen N2 | - | 1992-2625 | - | 6.2-113 | - | - |
| Nitrogen dioxide NO2 | 600-6500 | 0-3074 | - | 238-666 | 6.2-827 | 230-930 |
| Nitrogen oxide cation NO+ | - | 1634-2530 | - | - | - | - |
| Nitromethane CH3NO2 | 600-6500 | - | - | 190-355 | - | - |
| Nitrous acid HONO | 550-6500 | - | - | 184-274 | 300-400 | - |
| Nitrous oxide N2O | 535-6500 | 0-7797 | - | 100-240 | 170-223 | - |
| Octane C8H18 | 600-6500 | - | - | 5.6-165 | - | - |
| Oxygen O | - | 68-158 | - | - | - | - |
| Oxygen O2 | - | 0-15927 | - | 0-245 | 242.3-294.1 | 333-666 |
| Oxygen dimer O2-O2 | - | - | 8794-9945 | 300-677 | 335-650 | - |
| Ozone O3 | - | 0-15927 | - | 185-253 | 245-343 | 230-1084 |
| Pentane C5H12 | 570-6500 | - | - | 5.6-165 | - | - |
| Pentanol C5H11OH | 600-7300 | - | - | - | - | - |
| Pentene C5H10 | 525-6500 | - | - | - | - | - |
| Phenol C6H5OH | - | - | - | 210-290 | 247-288 | - |
| Phosphine PH3 | 600-6500 | 770-2479 | 2724-3601 | 5.6-207 | 93-230 | - |
| Propanal C2H5CHO | 520-6500 | - | - | 202-365 | - | - |
| Propane C3H8 | 600-6500 | - | - | 15.6-155 | 121-165 | - |
| Propanol C3H7OH | 600-7300 | - | - | 30-118 | 123.5-204.1 | - |
| Propargyl radical CH2CCH | - | - | - | 230-280 | - | - |
| Propylene C3H6 | 525-6500 | - | - | 160-200 | 164-215 | - |
| Propyl radical C3H7 | - | - | - | 230-260 | - | - |
| Propyne CH3C2H | 560-6700 | - | 283-680 | 41-207 | 106-290 | 160-200 |
| Pyrazole C3H4N2 | - | - | - | 106-250 | - | - |
| Pyridine C5H5N | 565-6500 | - | - | 6.2-252.4 | - | - |
| Pyrrole C4H4NH | - | - | - | 34.8-152.6 | 106.9-250 | - |
| Sulfur dioxide SO2 | 500-6500 | 0-4092 | - | 106-403 | 196-240 | 239-395 |
| Sulfur hexaflouride SF6 | 600-6500 | 942-950 | 925-950 | 19.7-248 | - | - |
| Sulfur trioxide SO3 | 440-6500 | - | - | 140-194 | 196-330 | - |
| Sulfuryl chloride SO2Cl2 | 525-6500 | - | - | 190-300 | - | - |
| Sulfuryl flouride SO2F2 | 500-6500 | - | - | - | - | - |
| Thiophene C4H4S | 580-6500 | - | - | 34.8-140.6 | - | - |
| Thiophosphoryl chloride SPCl3 | 525-6500 | - | - | - | - | - |
| Toluene C7H8 | 600-6500 | - | - | 185-280 | 227-316 | - |
| Vinylacetylene C4H4 | - | - | - | 160-240 | - | - |
| Vinyl radical C2H3 | - | - | - | 225-238 | - | - |
| Water H2O | 550-7500 | 0-25232 | - | 0-195 | 120-188 | - |
