All molecules in database
Absorption cross sections are in green and line lists in red.
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Molecule PNNL HITRAN 2008 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 890-946- 114-178 - -
Acetylene C2H2 600-6650 604-9890 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 34.8-134.96.2-248 -
Benzyl radical C7H7 --- 220-275235-316 -
Bromine monoxide BrO --- 286.5-384.9 --
Butadiene CH2CHCHCH2 530-6500-- 160-240 --
Butadiyne C4H2 --- 100-310 121-173160-260
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 0-12785- 0-205 118-175-
Carbon disulfide CS2 600-6000 -- 280-350 31-248180-228
Carbon monoxide CO 600-6500 3-8465- 6.2-177 91.7-100.4-
Carbon tetrachloride CCl4 590-6500 750-812- 175-290 50-2003.1-225
Carbon tetrafluoride CF4 - 594-1313- - --
Carbonyl fluoride COF2 600-6500 725-2002- 186-228.6--
Carbonyl sulfide OCS 510-6500 0-4200- 190-293 3.44-248200-260
Chlorine nitrate ClONO2 - 763-798 740-1790 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 --- 152-240208-398-
Dinitrogen tetraoxide N2O4 --- 200-390185-390 320-430
Dinitrogen trioxide N2O3 --- 300-400--
Ethane C2H6 600-6500 706-3001- 13.8-124.6 90-200120-150
Ethanol C2H5OH 600-7500 -- 6.2-248 46-200-
Ethylamine C2H5NH2 600-7000 -- 86-258 137-241-
Ethylene C2H4 600-6500 701-3243- 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 0-3100- 60-358 247-400300.3-385.8
Formic acid HCOOH 540-7200 10-1890- 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 16-9759- 140-240 31-177150-238
Hydrogen chloride HCl 600-6500 20-13458- 130-220 134-23031-155
Hydrogen cyanide HCN 550-7000 0-3424- 64-195 --
Hydrogen fluoride HF 900-6500 41-11536- 8.3-155 107-145-
Hydrogen iodide HI 600-6550 12-8488- 170-230 198-341-
Hydrogen peroxide H2O2 - 0-1731- 190-350 --
Hydrogen sulfide H2S 600-6500 2-4257- 106-263 5-238-
Hydroperoxy radical HO2 - 0-3676- 190-260 --
Hydroxyl radical OH - 0-19268- 278.7-335.5 --
Hypobromous acid HOBr - 0-316- 260-600 --
Hypochlorous acid HOCl - 1-3800- 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 -- 30-119120.5-208.3 -
Isopropyl radical C3H7 - -- 205-270--
Ketene CH2CO - -- 290-450--
Methane CH4 600-6500 0-92000-10000 5.6-165 0-260848-920
Methanesulfonyl chloride CH3SO2Cl 520-6500 -- ---
Methanol CH3OH 500-7500 0-1408- 3-207 106-198-
Methylamine CH3NH2 600-6750 -- 4.9-225 138-249111-270
Methyl bromide CH3Br - 0-1408- - --
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 0-9274- 6.5-207 --
Nitroethane C2H5NO2 550-6500 -- 205-320 --
Nitrogen N2 - 1992-2626- 6.2-113 --
Nitrogen dioxide NO2 600-6500 0-3075- 238-666 6.2-827230-930
Nitrogen oxide cation NO+ - 1634-2531- ---
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 - 68-159- ---
Oxygen O2 - 0-15928- 0-245 242.3-294.1333-666
Oxygen dimer O2-O2 - -8794-9945 300-677 335-650-
Ozone O3 - 0-5787- 185-253 245-343230-1084
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 770-36022724-3601 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 41-207 106-290160-200
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 0-4093- 106-403 196-240239-395
Sulfur hexaflouride SF6 600-6500 580-996 925-950 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 -- 185-280227-316-
Vinylacetylene C4H4 - -- 160-240--
Vinyl radical C2H3 - -- 225-238--
Water H2O 550-7500 0-25233- 0-195120-188-

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List of fundamental vibrations for all molecules
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