Fundamental vibrational frequencies of molecules in database (cm-1)
Molecule n1 n2 n3 n4 n5 n6 n7 n8 n9 n10 n11 n12 n13 n14 n15 n16 n17 n18 n19 n20 n21 n22 n23 n24 n25 n26 n27 n28 n29 n30
Acetaldehyde (CH3CHO) 300529172822 174314411400 13521113919 50929671420 867763180 --- --- --- --- ---
Acetic acid (CH3COOH) 358330512944 178814301382 12641182989 847657581 299614301048 64253493 --- --- --- ---
Acetol (CH3C(O)CH2OH) ------ ------ ------ ------ ------
Acetone ((CH3)2CO) 301929371731 143513641066 7773852963 1426877105 301929371410 13641216891 53029721454 1091484109 ------
Acetonitrile (CH3CN) 295422671385 92030091448 1041362---- ------ ------ ------
Acetylene (C2H2) 3374 1974 3289 612 730- --- --- --- --- --- --- --- ---
Acrolein (CH2CHCHO) 310330283000 280017241625 142013601275 1158912564 327993980 959593157 ------ ------
Allene (CH2CCH2) 3015 1443 1073 865 30071957 13983086999 841355- --- --- --- --- --- ---
Allyl radical (CH2CHCH2) 311430343023 148812451066 427-549 968802518 311130201464 13901182- ------ ------
Ammonia (NH3) 3337 950 3444 1627 -- --- --- --- --- --- --- --- ---
Benzene (C6H6) 30629921326 67330681010 9957031310 11508493063 148610383047 15961178606 975410- --- ------
Benzyl radical (C7H7) ------ ------ ------ ------ ------
Bromine monoxide (BrO) ------ ------ ------ ------ ------
Butadiene (CH2CHCHCH2) 310030033013 164414411291 1203888212 1014908525 163965908 75231013035 301115971381 1281990299 ------
Butadiyne (C4H2) 32932184874 33292020627 482630231 --- --- --- --- --- --- ---
Butane (C4H10) ------ ------ ------ ------ ------
Butanol (C4H9OH) ------ ------ ------ ------ ------
Butene (C4H8) --- --- --- --- --- --- --- --- --- ---
Butyne (C2H5CCH) ------ ------ ------ ------ ------
Carbon dioxide (CO2) 1388 667 2349 --- --- --- --- --- --- --- --- ---
Carbon disulfide (CS2) 656.5 396.7 1523 --- --- --- --- --- --- --- --- ---
Carbon monoxide (CO) 2143 -- --- --- --- --- --- --- --- --- ---
Carbon tetrachloride (CCl4) 464 217 799 316 --- --- --- --- --- --- --- --- --
Carbonyl fluoride (COF2) 1944 963 582 1242 619 774 --- --- --- --- --- --- --- ---
Carbonyl sulfide (COS) 859 520 2062 --- --- --- --- --- --- --- --- ---
Chlorine nitrate (ClONO2) 1737 1293809 780563435 262711120 --- --- --- --- --- --- ---
Chlorine oxide (ClO) 884 -- --- --- --- --- --- --- --- --- ---
Chloroform (CHCl3) 3034680363 1220774261 ------ ------ ------ ------
Chlorosulfonyl isocyanate (CSI) 2257 1440 1361 1202 749 638 610 595 479 433 401 297 278 114 46 --- --- --- --- ---
Cyanogen (C2N2) 23308462158 503234- --- --- --- --- --- --- --- ---
Cyclohexane (C6H12) 293028521465 1157802383 138311571057 143710902915 286014371030 52329302897 144313471266 1027785426 293328631457 13551261907 863248
Cyclohexanol (C6H12O) ------ ------ ------ ------ ------
Cyclohexanone (C6H10O) ------ ------ ------ ------ ------
Cyclohexene (C6H10) ------ ------ ------ ------ ------
Cyclopentene (C5H8) ------ ------ ------ ------ ------
Cyclopropane (C3H6) 3038 1479 1188 1126 1070 3103 854 3025 1438 1029 866 3082 1188 739 - --- --- --- --- ---
Diethyl ether ((C2H5)2O) ------ ------ ------ ------ ------
Dimethyl disulfide ((CH3S)2) ------ ------ ------ ------ ------
Dimethyl ether ((CH3)2O) ------ ------ ------ ------ ------
Dimethyl sulfide ((CH3)2S) 299729251447 13371030695 28029701427 9461752998 291914421315 9037422970 1439973183 --- --- ---
Dimethyl sulfoxide ((CH3)2SO) --- --- --- --- --- --- --- --- --- ---
Dinitrogen pentoxide (N2O5) ------ ------ ------ ------ ------
Dinitrogen tetraoxide (N2O4) 1383813262 821718480 4256571757 2651261755 ------ ------ ------
Dinitrogen trioxide (N2O3) 183016521304 773414241 20562763--- ------ ------ ------
Ethane (CH3CH3) 29541388995 28928961379 296914681190 29851469822 --- --- --- --- --- ---
Ethanol (C2H5OH) ------ ------ ------ ------ ------
Ethylamine (C2H5NH2) ------ ------ ------ ------ ------
Ethylene (C2H4) 302616231342 102331031236 9499433106 82629891444 --- --- --- --- --- ---
Ethyl formate (C2H5OOCH) ------ ------ ------ ------ ------
Ethyl nitrite (C2H5ONO) ------ ------ ------ ------ ------
Ethyl radical (C2H5) ------ ------ ------ ------ ------
Ethynyl radical (C2H) 32993721841--- ------ ------ ------ ------
Formaldehyde (H2CO) 278317461500 284312491167 --- --- --- --- --- --- --- ---
Formic acid (HCO2H) 357029431770 138712291105 6251033638 --- --- --- --- --- --- ---
Furan (C4H4O) 315431401491 138411401066 995871863 7286133161 312915561267 11801040873 838745603--- ------
Glycidaldehyde (C3H4O2) ------ ------ ------ ------ ------
Glycolaldehyde (HOCH2CHO) ------ ------ ------ ------ ------
Glyoxal ((CHO)2) 284317451338 1065551801 12710482835 17321312339 ------ ------ ------
Heptane (C7H16) ------ ------ ------ ------ ------
Heptene (C7H14) ------ ------ ------ ------ ------
Hexane (C6H14) ------ ------ ------ ------ ------
Hexatriyne (C6H2) ------ ------ ------ ------ ------
Hydrazine (N2H4) 35673473 16911323 1077795 3763572 34651678 1295937 --- --- --- --- --- ---
Hydrogen (H2) 4161-- --- --- --- --- --- --- --- --- ---
Hydrogen bromide (HBr) 2558-- --- --- --- --- --- --- --- --- ---
Hydrogen chloride (HCl) 2886-- --- --- --- --- --- --- --- --- ---
Hydrogen cyanide (HCN) 33117122097 --- --- --- --- --- --- --- --- ---
Hydrogen fluoride (HF) 3962-- --- --- --- --- --- --- --- --- ---
Hydrogen iodide (HI) 2229-- --- --- --- --- --- --- --- --- ---
Hydrogen peroxide (H2O2) (t=1) 35931396866 25935601236 --- --- --- --- --- --- --- ---
Hydrogen sulfide (H2S) 2615 1183 2626 --- --- --- --- --- --- --- --- ---
Hydroperoxy radical (HO2) 343613921098 --- --- --- --- --- --- --- --- ---
Hydroxyl radical (OH) ------ ------ ------ ------ ------
Hypobromous acid (HOBr) 36151163620 --- --- --- --- --- --- --- --- ---
Hypochlorous acid (HOCl) 36091239724 --- --- --- --- --- --- --- --- ---
Iodine oxide (IO) ------ ------ ------ ------ ------
Isobutane (C4H10) ------ ------ ------ ------ ------
Isobutene ((CH3)2CCH2) 298929412911 166114701416 13661064801 38329701459 1076981193 308629802893 145813811282 1043974430 294514441079 890429196
Isooctane (C8H18) ------ ------ ------ ------ ------
Isopentane (C5H12) ------ ------ ------ ------ ------
Isopropyl alcohol (C3H7OH) ------ ------ ------ ------ ------
Isopropyl radical (C3H7) ------ ------ ------ ------ ------
Ketene (CH2CO) ------ ------ ------ ------ ------
Methane (CH4) 2917 1534 3019 1306 -- --- --- --- --- --- --- --- ---
Methanesulfonyl chloride - - - --- --- --- --- --- --- --- --- ---
Methanol (CH3OH) 3681 2999 2844 1477 1454 1340 1074 1033 2970 1465 1145 270 --- --- --- --- --- ---
Methylamine (CH3NH2) 3361 2961 2820 1623 1473 1430 1130 1044 780 3427 2985 1485 14191195268 --- --- --- --- ---
Methyl chloride (CH3Cl) 2937 1355 732 3039 1452 1017 --- --- --- --- --- --- --- ---
Methyl ethyl ether (CH3OC2H5) ------ ------ ------ ------ ------
Methyl ethyl ketone (CH3COC2H5) 298329832910 291028841716 146014221413 137313461263 11821089997 939760590 4132602983 298329411460 141312631108 952768460 20110687
Methyl fluoride (CH3F) 2930 1464 1049 3006 1467 1182 --- --- --- --- --- --- --- ---
Methyl formate (HCOOCH3) 304529692943 175414541445 137112071166 925767318 301214431168 1032332130 ------ ------
Methyl mercaptan (CH3SH) 3015 2948 2605 1453 1332 1072 802 710 3012 1444 956 200 --- --- --- --- --- ---
Methyl nitrate (CH3ONO2) ------ ------ ------ ------ ------
Methyl nitrite (CH3ONO) ------ ------ ------ ------ ------
Methyl propyl ether (CH3OC3H7) ------ ------ ------ ------ ------
Methyl radical (CH3) 300460631601400-- ------ ------ ------ ------
Methyl thionitrite (CH3SNO) ------ ------ ------ ------ ------
Methyl vinyl ketone (CH2CHCOCH3) ------ ------ ------ ------ ------
Nitrate radical (NO3) 10507621492 360-- ------ ------ ------ ------
Nitric acid (HNO3) 3551 1710 1326 1303 879 647 580 763 458 --- --- --- --- --- --- ---
Nitric oxide (NO) 1875 -- --- --- --- --- --- --- --- --- ---
Nitroethane (C2H5NO2) ------ ------ ------ ------ ------
Nitrogen (N2) 2330-- --- --- --- --- --- --- --- --- ---
Nitrogen dioxide (NO2) 1320 750 1617 --- --- --- --- --- --- --- --- ---
Nitrogen oxide cation(NO+) 2344 -- --- --- --- --- --- --- --- --- ---
Nitromethane (CH3NO2) ------ ------ ------ ------ ------
Nitrous acid (HONO) ------ ------ ------ ------ ------
Nitrous oxide (N2O) 2224 589 1285 --- --- --- --- --- --- --- --- ---
Octane (C8H18) ------ ------ ------ ------ ------
Oxygen (O2) 1556 -- --- --- --- --- --- --- --- --- ---
Ozone (O3) 1103 701 1042 --- --- --- --- --- --- --- --- ---
Pentane (C5H12) ------ ------ ------ ------ ------
Pentanol (C5H11OH) ------ ------ ------ ------ ------
Pentene (C5H10) ------ ------ ------ ------ ------
Phenol (C6H5OH) ------ ------ ------ ------ ------
Phosphine (PH3) 2321 992 2327 1118-- --- --- --- --- --- --- --- ---
Propanal (C2H5CHO) ------ ------ ------ ------ ------
Propane (C3H8) 297729622887 147614621392 1158869369 296714511278 9402162968 288714641378 13381054922 297329681472 1192748268 ---
Propanol (C3H7OH) ------ ------ ------ ------ ------
Propargyl radical (CH2CCH) ------ ------ ------ ------ ------
Propylene (C3H6) 3091 3015 2991 2973 2931 1653 1459 1420 1378 1298 1174935 9194282953 14421045990 912575188 --- --- ---
Propyl radical (C3H7) ------ ------ ------ ------ ------
Propyne (CH3C2H) 3334 2918 2142 1382 931 3008 1452 1053 633 328 -- --- --- --- --- --- ---
Pyrazole (C3H4N2) ------ ------ ------ ------ ------
Pyridine (C5H5N) ------ ------ ------ ------ ------
Pyrrole (4H4NH) ------ ------ ------ ------ ------
Sulfur dioxide (SO2) 1152 518 1362 --- --- --- --- --- --- --- --- ---
Sulfur hexaflouride (SF6) 775 643 948 615 524 346 --- --- --- --- --- --- --- ---
Sulfur trioxide (SO3) 10654981391 530-- ------ ------ ------ ------
Sulfuryl chloride (SO2Cl2) 1205 577 408 218 282 1434 388 586 362 --- --- --- --- --- --- ---
Sulfuryl flouride (SO2F2) 1269 849 544 384 388 1502 552 887 539 --- --- --- --- --- --- ---
Thiophene (C4H4S) 312630981409 136010831036 839608903 6885673125 308615041256 1085872751 867712452 --- ------
Thiophosphoryl chloride (SPCl3) 767 432 246 544 246 167 --- --- --- --- --- --- --- ---
Toluene (C7H8) ------ ------ ------ ------ ------
Vinylacetylene (C4H4) ------ ------ ------ ------ ------
Vinyl radical (C2H3) ------ ------ ------ ------ ------
Water (H2O) 3657 1595 3756 --- --- --- --- --- --- --- --- ---
Most values from NIST Chemistry Webbook
Doubly degenerate modes are in red italic and triply degenerate modes are in brown bold.
Infrared-inactive modes are shaded silver.
Fundamentals that are only estimated by ab initio calcualtions are in orange underlined.
earthmoonsun


List of available data for all molecules
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