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Big Vibrational Anharmonicities

This page lists vibrational modes with which the diagonal anharmonicity magnitude, |xii|, is greater than 10% of the vibrational frequency, ωi.
So far we have calculated anharmonicities for HF/6-31G*.
Formula Name Mode Number Symmetry Frequency (cm-1) Anharmonicity (cm-1) Ratio (%)
C6H6 2,4-Hexadiyne 6 A1u 2 4402 179465
C6H6 2,4-Hexadiyne 6 A 10 4402 45119
C6H6 2,4-Hexadiyne 6 A 10 4402 45119
H2ONH3 Water Ammonia Dimer 15 A" 19 -1189 -6373
H2ONH3 Water Ammonia Dimer 15 A" 28 -1189 -4235
H2ONH3 Water Ammonia Dimer 15 A" 28 -1189 -4235
C6H8 3-Methylenecyclopentene 36 A 12 364 3159
C6H8 3-Methylenecyclopentene 36 A 12 362 3140
C6H8 3-Methylenecyclopentene 36 A 12 364 3138
C6H8 3-Methylenecyclopentene 36 A 12 364 3138
C6H8 3-Methylenecyclopentene 36 A 12 362 3119
C6H8 3-Methylenecyclopentene 36 A 12 362 3119
H2ONH3 Water Ammonia Dimer 15 A" 19 -219 -1175
C4H6O Cyclobutanone 20 B1 15 170 1112
C4H6O Cyclobutanone 20 B1 15 168 1102
C4H9NO Propanamide, 2-methyl- 38 A 97 927 960
C4H9NO Propanamide, 2-methyl- 38 A 97 927 960
C4H9NO Propanamide, 2-methyl- 38 A 97 927 959
C6H10 2-Hexyne 42 A" 13 -126 -941
C4H9NO Propanamide, 2-methyl- 38 A 97 908 940
C4H9NO Propanamide, 2-methyl- 38 A 97 908 940
C4H9NO Propanamide, 2-methyl- 38 A 97 908 939
C4H6O Cyclobutanone 20 B1 19 170 887
C4H6O Cyclobutanone 20 B1 19 168 879
C6H10 2-Hexyne 42 A 14 -126 -877
C6H10 2-Hexyne 42 A 14 -126 -877
MgOH magnesium hydroxide 3 A' 83 -678 -814
MgOH magnesium hydroxide 3 A' 85 -678 -801
MgOH magnesium hydroxide 3 A' 85 -678 -801
C6H5CH3 toluene 39 A" 16 -130 -790
H2ONH3 Water Ammonia Dimer 15 A" 28 -219 -781
H2ONH3 Water Ammonia Dimer 15 A" 28 -219 -781
N(CH3)2CONH2 Urea, N,N-dimethyl- 36 A 44 -326 -737
N(CH3)2CONH2 Urea, N,N-dimethyl- 36 A 44 -326 -737
N(CH3)2CONH2 Urea, N,N-dimethyl- 36 A 44 -326 -737
CHONH2 formamide 12 A" 108 770 711
CHONH2 formamide 12 A" 108 770 711
CHONH2 formamide 12 A" 108 770 711
CHONH2 formamide 12 A" 108 770 711
CHONH2 formamide 12 A" 109 770 708
CHONH2 formamide 12 A" 109 770 708
CHONH2 formamide 12 A" 109 770 707
CHONH2 formamide 12 A" 109 770 707
CHONH2 formamide 12 A" 109 770 705
CHONH2 formamide 12 A" 109 770 705
CHONH2 formamide 12 A" 109 770 705
CHONH2 formamide 12 A" 109 770 705
CHONH2 formamide 12 A" 108 756 698
CHONH2 formamide 12 A" 108 756 698
MgOH magnesium hydroxide 3 A' 83 -579 -695
CHONH2 formamide 12 A" 109 756 695
CHONH2 formamide 12 A" 109 756 695
CHONH2 formamide 12 A" 109 756 692
CHONH2 formamide 12 A" 109 756 692
MgOH magnesium hydroxide 3 A' 85 -579 -684
MgOH magnesium hydroxide 3 A' 85 -579 -684
N(CH3)2CONH2 Urea, N,N-dimethyl- 36 A 44 -292 -661
N(CH3)2CONH2 Urea, N,N-dimethyl- 36 A 44 -292 -661
N(CH3)2CONH2 Urea, N,N-dimethyl- 36 A 44 -292 -661
C3H6O2 1,3-Dioxolane 27 B 19 104 561
C3H6O2 1,3-Dioxolane 27 A 19 104 561
C3H6O2 1,3-Dioxolane 27 A 19 104 561
C3H6O2 1,3-Dioxolane 27 B 19 102 545
C3H6O2 1,3-Dioxolane 27 A 19 102 545
C3H6O2 1,3-Dioxolane 27 A 19 102 545
CH3NO2 Methane, nitro- 15 A" 19 -97 -523
CH3NO2 Methane, nitro- 15 A" 20 -97 -495
CH2CHCONH2 Acrylamide 23 A 180 -879 -488
CH2CHCONH2 Acrylamide 23 A 181 -879 -487
CH2CHCONH2 Acrylamide 23 A 181 -879 -487
CH2CHCONH2 Acrylamide 23 A 180 -869 -482
CH2CHCONH2 Acrylamide 23 A 181 -869 -481
CH2CHCONH2 Acrylamide 23 A 181 -869 -481
CH3NO2 Methane, nitro- 15 A" 22 -97 -449
CH3NO2 Methane, nitro- 15 A" 22 -97 -449
C6H5CH3 toluene 39 A" 33 -130 -398
C6H5CH3 toluene 39 A" 33 -130 -398
C6H10 2-Hexyne 42 A" 13 -38 -281
CH3CONH2 Acetamide 20 A 224 -588 -263
CH3CONH2 Acetamide 20 A 224 -588 -263
C6H10 2-Hexyne 42 A 14 -38 -263
C6H10 2-Hexyne 42 A 14 -38 -263
CH3CONH2 Acetamide 20 A 224 -587 -262
CH3CONH2 Acetamide 20 A 224 -587 -262
CH3CONH2 Acetamide 20 A 229 -588 -257
CH3CONH2 Acetamide 20 A 229 -587 -257
C4H9NO Butanamide 36 A 239 -557 -233
C4H9NO Butanamide 36 A 239 -557 -233
C4H9NO Butanamide 36 A 239 -557 -233
C3H7NO Propanamide 29 A 223 -502 -225
C4H9NO Butanamide 36 A 239 -521 -218
C4H9NO Butanamide 36 A 239 -521 -218
C4H9NO Butanamide 36 A 239 -521 -218
C3H7NO Propanamide 29 A 230 -502 -218
C3H7NO Propanamide 29 A 230 -502 -218
C3H7NO Propanamide 29 A 223 -473 -212
CH3NO2 Methane, nitro- 15 A" 19 -38 -206
C3H7NO Propanamide 29 A 230 -473 -206
C3H7NO Propanamide 29 A 230 -473 -206
CH3NO2 Methane, nitro- 15 A" 20 -38 -195
CH3S thiomethoxy 9 A 614 1167 190
CH3S thiomethoxy 9 A 614 1167 190
C5H12O Propane, 2-methoxy-2-methyl- 48 A" 30 56 188
CH3S thiomethoxy 9 A 631 1167 185
CH3NO2 Methane, nitro- 15 A" 22 -38 -177
CH3NO2 Methane, nitro- 15 A" 22 -38 -177
C5H12O Propane, 2-methoxy-2-methyl- 48 A 32 56 174
C5H12O Propane, 2-methoxy-2-methyl- 48 A 32 56 174
C5H12O Propane, 2-methoxy-2-methyl- 48 A" 30 50 165
CH3COCH2CH3 2-Butanone 33 A" 31 51 165
CH3COCH2CH3 2-Butanone 33 A" 31 51 165
C5H10O Oxetane, 3,3-dimethyl- 24 A' 46 -76 -164
CH3COCH2CH3 2-Butanone 33 A" 31 51 163
C5H10O Oxetane, 3,3-dimethyl- 24 A' 46 -75 -162
CH3S thiomethoxy 9 A 614 980 160
CH3S thiomethoxy 9 A 614 980 160
C5H10O Oxetane, 3,3-dimethyl- 24 A' 48 -76 -159
C5H10O Oxetane, 3,3-dimethyl- 24 A' 48 -75 -157
CH3S thiomethoxy 9 A 631 980 155
CH3COCH2CH3 2-Butanone 33 A" 31 47 154
CH3COCH2CH3 2-Butanone 33 A" 31 47 154
C5H12O Propane, 2-methoxy-2-methyl- 48 A 32 50 153
C5H12O Propane, 2-methoxy-2-methyl- 48 A 32 50 153
CH3COCH2CH3 2-Butanone 33 A" 31 47 152
C5H10O Oxetane, 3,3-dimethyl- 24 A' 51 -76 -150
CH3CCCH3 2-Butyne 5 A1" 17 -25 -149
C5H10O Oxetane, 3,3-dimethyl- 24 A' 51 -75 -148
C5H8O Furan, 2,3-dihydro-5-methyl- 36 A 75 -105 -141
C5H8O Furan, 2,3-dihydro-5-methyl- 36 A 75 -105 -141
C5H8O Furan, 2,3-dihydro-5-methyl- 36 A 76 -105 -139
C5H8O Furan, 2,3-dihydro-5-methyl- 36 A 76 -105 -139
C5H8O Furan, 2,3-dihydro-5-methyl- 36 A 76 -105 -139
C5H8O Furan, 2,3-dihydro-5-methyl- 36 A 76 -105 -139
NH2CSNH2 Thiourea 9 A 234 -294 -126
NH2CSNH2 Thiourea 9 A 234 -294 -126
NH2CSNH2 Thiourea 9 A 234 -294 -125
CH3COCH3 Acetone 12 A 51 63 124
CH3COCH3 Acetone 12 A2 51 63 124
C6H5CH3 toluene 39 A" 16 -19 -118
CH3COCH3 Acetone 12 A2 54 63 117
CH3COCH3 Acetone 12 A2 54 63 117
CH3COCH3 Acetone 12 A 51 59 116
CH3COCH3 Acetone 12 A2 51 59 116
CH3COCH3 Acetone 12 A2 54 59 110
CH3COCH3 Acetone 12 A2 54 59 110
NH2CSNH2 Thiourea 9 A 234 -246 -105
NH2CSNH2 Thiourea 9 A 234 -246 -105
NH2CSNH2 Thiourea 9 A 234 -246 -105
CH3CCCH3 2-Butyne 5 A1" 25 -25 -100
CH3CCCH3 2-Butyne 5 A1" 25 -25 -100
CH3CONH2 Acetamide 21 A 47 -42 -90
CH3CONH2 Acetamide 21 A 47 -42 -90
CH3CONH2 Acetamide 21 A 47 -42 -90
C5H5NO 2(3H)-Pyridinone 30 A 38 -27 -72
C5H5NO 2(3H)-Pyridinone 30 A 38 -27 -72
C5H5NO 2(3H)-Pyridinone 30 A 38 -27 -72
C5H5NO 2(3H)-Pyridinone 30 A 38 -27 -70
C5H5NO 2(3H)-Pyridinone 30 A 38 -27 -70
C5H5NO 2(3H)-Pyridinone 30 A 38 -27 -70
C6H6 2,4-Hexadiyne 17 A 456 -315 -69
C6H6 2,4-Hexadiyne 17 A 456 -315 -69
C6H6 2,4-Hexadiyne 18 A 456 -315 -69
C6H6 2,4-Hexadiyne 18 A 456 -315 -69
NH3NH3 Ammonia Dimer 18 A 47 -31 -66
CH3CONH2 Acetamide 21 A 47 -30 -63
CH3CONH2 Acetamide 21 A 47 -30 -63
CH3CONH2 Acetamide 21 A 47 -30 -63
CH2CHCONH2 Acrylamide 24 A 101 -60 -60
CH2CHCONH2 Acrylamide 24 A 102 -60 -60
CH2CHCONH2 Acrylamide 24 A 102 -60 -60
C6H5CH3 toluene 39 A" 33 -19 -59
C6H5CH3 toluene 39 A" 33 -19 -59
C5H7N 1H-Pyrrole, 1-methyl- 33 A 86 -50 -57
C5H7N 1H-Pyrrole, 1-methyl- 33 A 86 -50 -57
C5H7N 1H-Pyrrole, 1-methyl- 33 A 87 -50 -57
C3H5Cl3 Propane, 1,2,3-trichloro- 27 A" 17 10 57
C3H5Cl3 Propane, 1,2,3-trichloro- 27 A" 18 10 56
C3H5Cl3 Propane, 1,2,3-trichloro- 27 A" 18 10 56
NH3NH3 Ammonia Dimer 18 Bu 55 -31 -56
NH3NH3 Ammonia Dimer 18 A 61 -31 -51
C6H6 2,4-Hexadiyne 17 Eg 772 -315 -41
C6H6 2,4-Hexadiyne 18 Eg 772 -315 -41
C2H3OC2H5 Ethene, ethoxy- 33 A 51 -20 -39
C2H3OC2H5 Ethene, ethoxy- 33 A 51 -20 -39
C2H3OC2H5 Ethene, ethoxy- 33 A 51 -20 -39
C5H11 2-Methylbut-2-yl radical 42 A 49 -19 -38
C5H11 2-Methylbut-2-yl radical 42 A 49 -19 -38
C2H3OC2H5 Ethene, ethoxy- 33 A 51 -19 -38
C2H3OC2H5 Ethene, ethoxy- 33 A 51 -19 -38
C2H3OC2H5 Ethene, ethoxy- 33 A 51 -19 -38
C5H11 2-Methylbut-2-yl radical 42 A 50 -19 -38
C6H12 Cyclopentane, methyl- 48 A 37 14 37
C5H11 2-Methylbut-2-yl radical 42 A 49 -18 -37
C5H11 2-Methylbut-2-yl radical 42 A 49 -18 -37
C5H11 2-Methylbut-2-yl radical 42 A 50 -18 -36
C6H12 Cyclopentane, methyl- 48 A 38 14 36
C6H12 Cyclopentane, methyl- 48 A" 38 14 36
C2H5 Ethyl radical 15 A" 166 -57 -34
C2H5 Ethyl radical 15 A" 166 -57 -34
C3H5Cl3 Propane, 1,2,3-trichloro- 27 A" 17 6 34
CH2CHCONH2 Acrylamide 24 A 101 34 34
CH2CHCONH2 Acrylamide 24 A 102 34 34
CH2CHCONH2 Acrylamide 24 A 102 34 34
CH2ClCHO chloroacetaldehyde 15 A 47 -16 -33
C3H5Cl3 Propane, 1,2,3-trichloro- 27 A" 18 6 33
C3H5Cl3 Propane, 1,2,3-trichloro- 27 A" 18 6 33
CH2ClCHO chloroacetaldehyde 15 A 47 -16 -33
C5H10O Cyclopentanol 42 A 40 13 33
BeOH beryllium monohydroxide 3 A' 347 -114 -33
C5H10O Cyclopentanol 42 A 40 13 33
C5H10O Cyclopentanol 42 A 40 13 33
BeOH beryllium monohydroxide 3 A' 347 -110 -32
BeOH beryllium monohydroxide 3 A' 363 -114 -31
BeOH beryllium monohydroxide 3 A' 363 -114 -31
C4H10O Propane, 2-methoxy- 39 A 52 16 31
BeOH beryllium monohydroxide 3 A' 363 -110 -30
BeOH beryllium monohydroxide 3 A' 363 -110 -30
C4H10O Propane, 2-methoxy- 39 A 54 16 30
C4H10O Propane, 2-methoxy- 39 A 54 16 30
C4H10O Propane, 2-methoxy- 39 A 52 14 27
C4H10O Propane, 2-methoxy- 39 A 54 14 26
C4H10O Propane, 2-methoxy- 39 A 54 14 26
CH3OOH Methyl peroxide 15 A 201 -53 -26
CH3OOH Methyl peroxide 15 A 201 -53 -26
CH3OOH Methyl peroxide 15 A 203 -53 -26
C5H7N 1H-Pyrrole, 1-methyl- 33 A 86 -22 -26
C5H7N 1H-Pyrrole, 1-methyl- 33 A 86 -22 -26
C5H7N 1H-Pyrrole, 1-methyl- 33 A 87 -22 -26
C2H5 Ethyl radical 15 A" 166 -38 -23
C2H5 Ethyl radical 9 A' 459 -105 -23
C2H5 Ethyl radical 15 A" 166 -38 -23
C2H5 Ethyl radical 9 A' 460 -105 -23
C3H7 n-Propyl radical 24 A 150 -34 -23
C3H7 n-Propyl radical 24 A 150 -34 -23
C3H7 n-Propyl radical 24 A 153 -34 -22
C4H10O2 1,1-Dimethoxyethane 42 A 37 -8 -22
C4H10O2 1,1-Dimethoxyethane 42 A 37 -8 -22
ClOO chloroperoxy radical 2 A' 714 -157 -22
ClOO chloroperoxy radical 2 A' 714 -157 -22
C4H10O2 1,1-Dimethoxyethane 42 A" 38 -8 -22
ClOO chloroperoxy radical 2 A' 715 -157 -22
C4H10O2 1,1-Dimethoxyethane 42 A 37 -8 -22
C4H10O2 1,1-Dimethoxyethane 42 A 37 -8 -22
ClOO chloroperoxy radical 2 A' 714 -154 -22
ClOO chloroperoxy radical 2 A' 714 -154 -22
ClOO chloroperoxy radical 2 A' 715 -154 -22
C4H10O2 1,1-Dimethoxyethane 42 A" 38 -8 -22
C2H5 Ethyl radical 9 A' 459 -93 -20
C2H5 Ethyl radical 9 A' 460 -93 -20
C5H11N Cyclopentanamine 45 A 49 10 20
C5H11N Cyclopentanamine 45 A 49 10 20
C5H11N Cyclopentanamine 45 A" 50 10 20
C2H3NO3 Oxamic acid 20 A" 333 65 19
C2H3NO3 Oxamic acid 20 A" 333 65 19
C5H10S Cyclopentanethiol 42 A 45 9 19
C5H10S Cyclopentanethiol 42 A 45 9 19
C5H10S Cyclopentanethiol 42 A 45 9 19
C2H3NO3 Oxamic acid 20 A" 333 64 19
C2H3NO3 Oxamic acid 20 A" 333 64 19
C4H7NO Oxazole, 4,5-dihydro-2-methyl- 33 A" 87 16 19
C4H7NO Oxazole, 4,5-dihydro-2-methyl- 33 A" 87 16 19
C4H7NO Oxazole, 4,5-dihydro-2-methyl- 33 A 88 16 19
C4H7NO Oxazole, 4,5-dihydro-2-methyl- 33 A 88 16 19
C4H7NO Oxazole, 4,5-dihydro-2-methyl- 33 A 88 16 18
C4H7NO Oxazole, 4,5-dihydro-2-methyl- 33 A 88 16 18
CH3OOH Methyl peroxide 15 A 201 -37 -18
CH3OOH Methyl peroxide 15 A 201 -37 -18
CH2CH(CH3)2 Isobutyl radical 33 A" 157 -28 -18
CH3OOH Methyl peroxide 15 A 203 -37 -18
CH2CH(CH3)2 Isobutyl radical 33 A 157 -28 -18
CH2CH(CH3)2 Isobutyl radical 33 A 157 -28 -18
C6H12 (E)-3-methylpent-2-ene 48 A 58 -10 -18
C6H12 (E)-3-methylpent-2-ene 48 A 58 -10 -18
C6H12 (E)-3-methylpent-2-ene 48 A 59 -10 -18
B2Cl4 Diboron tetrachloride 4 B1 27 -5 -18
B2Cl4 Diboron tetrachloride 4 B1 27 -5 -18
B2Cl4 Diboron tetrachloride 4 B1 27 -5 -18
HOCH2CN cyanomethanol 15 A" 227 -40 -17
C6H12 (E)-3-methylpent-2-ene 48 A 58 -10 -17
C6H12 (E)-3-methylpent-2-ene 48 A 58 -10 -17
C6H12 (E)-3-methylpent-2-ene 48 A 59 -10 -17
C3H7 n-Propyl radical 21 A 478 -82 -17
C3H7 n-Propyl radical 21 A 478 -82 -17
C3H7 n-Propyl radical 21 A 478 -82 -17
C3H7 n-Propyl radical 21 A 478 -82 -17
C3H7 n-Propyl radical 21 A 485 -82 -17
C3H7 n-Propyl radical 21 A 485 -82 -17
CH2CH(CH3)2 Isobutyl radical 33 A" 157 -26 -17
CH2CH(CH3)2 Isobutyl radical 33 A 157 -26 -17
CH2CH(CH3)2 Isobutyl radical 33 A 157 -26 -17
C3H7 n-Propyl radical 24 A 150 -25 -16
C3H7 n-Propyl radical 24 A 150 -25 -16
C3H7 n-Propyl radical 24 A 153 -25 -16
C3H6S Thietane 14 A' 129 -21 -16
C3H6S Thietane 14 A' 129 -21 -16
C3H6S Thietane 14 A' 129 -21 -16
C3H6S Thietane 14 A' 129 -21 -16
C3H6S Thietane 14 A' 129 -21 -16
C3H6S Thietane 14 A' 129 -21 -16
C3H6S Thietane 14 A' 129 -21 -16
C3H6S Thietane 14 A' 129 -21 -16
C3H6S Thietane 14 A' 129 -21 -16
C3H6S Thietane 14 A' 129 -21 -16
C3H6S Thietane 14 A' 129 -21 -16
C3H6S Thietane 14 A' 129 -21 -16
C3H4O 2-Propyn-1-ol 18 A" 261 -41 -16
C3H4O 2-Propyn-1-ol 18 A" 261 -41 -16
C3H4O 2-Propyn-1-ol 18 A" 262 -41 -16
CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- 30 A" 107 -17 -16
CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- 30 A" 107 -17 -16
CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- 30 A" 108 -17 -15
H2OH2O water dimer 11 A 141 -20 -14
H2OH2O water dimer 11 A" 142 -20 -14
H2OH2O water dimer 11 A" 142 -20 -14
H2OH2O water dimer 11 A 143 -20 -14
C5H12S 1-Propanethiol, 2,2-dimethyl- 48 A" 67 9 14
C5H12S Propane, 2-methyl-2-(methylthio)- 48 A" 51 7 14
C5H12S 1-Propanethiol, 2,2-dimethyl- 48 A" 68 9 14
C5H12S 1-Propanethiol, 2,2-dimethyl- 48 A" 68 9 14
C5H12S Propane, 2-methyl-2-(methylthio)- 48 A 53 7 13
C5H12S Propane, 2-methyl-2-(methylthio)- 48 A 53 7 13
C5H8 Cyclobutane, methylene- 19 A' 98 -13 -13
C5H8 Cyclobutane, methylene- 19 A' 98 -13 -13
C5H8 Cyclobutane, methylene- 19 A' 99 -13 -13
C5H12S Propane, 2-methyl-2-(methylthio)- 48 A" 51 7 13
C5H8 Cyclobutane, methylene- 19 A' 98 -13 -13
C5H8 Cyclobutane, methylene- 19 A' 98 -13 -13
CH2OH Hydroxymethyl radical 8 A 856 -111 -13
CH2OH Hydroxymethyl radical 8 A 856 -111 -13
CH2OH Hydroxymethyl radical 8 A 856 -111 -13
C5H8 Cyclobutane, methylene- 19 A' 99 -13 -13
CH2C(CH3)OCH3 1-Propene, 2-methoxy- 33 A 66 -8 -13
CH2C(CH3)OCH3 1-Propene, 2-methoxy- 33 A 66 -8 -13
CH2C(CH3)OCH3 1-Propene, 2-methoxy- 33 A 66 -8 -13
C5H12S Propane, 2-methyl-2-(methylthio)- 48 A 53 7 13
C5H12S Propane, 2-methyl-2-(methylthio)- 48 A 53 7 13
CHOCH2OH hydroxy acetaldehyde 18 A" 145 18 13
CHOCH2OH hydroxy acetaldehyde 18 A" 145 18 13
CHOCH2OH hydroxy acetaldehyde 18 A" 145 18 13
CHOCH2OH hydroxy acetaldehyde 18 A" 145 18 13
CH2C(CH3)OCH3 1-Propene, 2-methoxy- 33 A 66 -8 -13
CH2C(CH3)OCH3 1-Propene, 2-methoxy- 33 A 66 -8 -13
CH2C(CH3)OCH3 1-Propene, 2-methoxy- 33 A 66 -8 -13
C2H4N4 1H-Tetrazole, 1-methyl- 24 A" 55 -7 -13
C2H4N4 1H-Tetrazole, 1-methyl- 24 A" 55 -7 -13
C2H4N4 1H-Tetrazole, 1-methyl- 24 A" 55 -7 -13
CH2OH Hydroxymethyl radical 8 A 856 -104 -12
CH2OH Hydroxymethyl radical 8 A 856 -104 -12
CH2OH Hydroxymethyl radical 8 A 856 -104 -12
CH5N3S Hydrazinecarbothioamide 24 A 105 13 12
CH5N3S Hydrazinecarbothioamide 24 A 105 13 12
CH5N3S Hydrazinecarbothioamide 24 A 105 13 12
C5H8 Cyclopentene 18 A' 150 -18 -12
C5H8 Cyclopentene 18 A' 150 -18 -12
C5H8 Cyclopentene 18 A' 150 -18 -12
C5H8 Cyclopentene 18 A' 150 -18 -12
CH2OH Hydroxymethyl radical 9 A 412 -49 -12
CH2OH Hydroxymethyl radical 9 A 412 -49 -12
CH2OH Hydroxymethyl radical 9 A 412 -49 -12
C4H9NO Butanamide 39 A 26 -3 -12
C4H9NO Butanamide 39 A 26 -3 -12
C4H9NO Butanamide 39 A 26 -3 -12
CH5N3S Hydrazinecarbothioamide 24 A 105 12 12
C3H4O 2-Propyn-1-ol 18 A" 261 -31 -12
C3H4O 2-Propyn-1-ol 18 A" 261 -31 -12
CH5N3S Hydrazinecarbothioamide 24 A 105 12 12
CH5N3S Hydrazinecarbothioamide 24 A 105 12 12
CH3CHCH2CH3 2-Butyl radical 28 A 475 -56 -12
CH3CHCH2CH3 2-Butyl radical 28 A 475 -56 -12
C3H4O 2-Propyn-1-ol 18 A" 262 -31 -12
C4H10O2 1,3-Butanediol 38 A 297 -35 -12
C4H10O2 1,3-Butanediol 38 A 297 -35 -12
CH3CHCH2CH3 2-Butyl radical 28 A 476 -56 -12
C4H10O2 1,3-Butanediol 38 A 298 -35 -12
CH3CHCH2CH3 2-Butyl radical 28 A 475 -56 -12
CH3CHCH2CH3 2-Butyl radical 28 A 475 -56 -12
CH3CHCH2CH3 2-Butyl radical 28 A 476 -56 -12
NH2BHNH2 diaminoborane 9 A2 330 39 12
N2H4 Hydrazine 7 A 474 -55 -12
N2H4 Hydrazine 7 A 474 -55 -12
N2H4 Hydrazine 7 A 474 -55 -12
N2H4 Hydrazine 7 A 474 -55 -12
C5H12S Propane, 2-(ethylthio)- 48 A 42 5 12
C5H12S Propane, 2-(ethylthio)- 48 A 42 5 12
C5H12S Propane, 2-(ethylthio)- 48 A" 43 5 11
H2O2 Hydrogen peroxide 4 A 396 -45 -11
H2O2 Hydrogen peroxide 4 A 396 -45 -11
H2O2 Hydrogen peroxide 4 A 399 -45 -11
H2O2 Hydrogen peroxide 4 A 399 -45 -11
H2O2 Hydrogen peroxide 4 A 396 -44 -11
H2O2 Hydrogen peroxide 4 A 396 -44 -11
H2O2 Hydrogen peroxide 4 A 396 -44 -11
H2O2 Hydrogen peroxide 4 A 396 -44 -11
C5H10O 2-Butanone, 3-methyl- 41 A 142 -16 -11
C5H10O 2-Butanone, 3-methyl- 41 A 142 -16 -11
C5H10O 2-Butanone, 3-methyl- 41 A 142 -16 -11
H2O2 Hydrogen peroxide 4 A 399 -44 -11
H2O2 Hydrogen peroxide 4 A 399 -44 -11
H2O2 Hydrogen peroxide 4 A 399 -44 -11
H2O2 Hydrogen peroxide 4 A 399 -44 -11
C5H12O 1-Pentanol 44 A" 304 -34 -11
C5H12O 1-Pentanol 44 A" 305 -34 -11
C5H12O 1-Pentanol 44 A" 305 -34 -11
C3H7OH 1-Propanol 28 A" 303 -33 -11
C3H7OH 1-Propanol 28 A" 304 -33 -11
C3H7OH 1-Propanol 28 A" 304 -33 -11
C3H6N2 3-Aminopropionitrile 13 A' 906 -97 -11
C3H6N2 3-Aminopropionitrile 13 A' 907 -97 -11
C3H6N2 3-Aminopropionitrile 13 A' 907 -97 -11
C2H4N4 1H-Tetrazole, 5-methyl- 24 A" 88 -9 -11
CH3OH Methyl alcohol 12 A" 348 -37 -11
CH3CClCHCH3 2-Butene, 2-chloro-, (E)- 30 A" 127 -13 -11
CH3CClCHCH3 2-Butene, 2-chloro-, (E)- 30 A" 127 -13 -11
CH3OH Methyl alcohol 12 A" 348 -37 -11
CH3OH Methyl alcohol 12 A" 348 -37 -11
CH3OH Methyl alcohol 12 A" 348 -37 -11
CH3OH Methyl alcohol 12 A" 348 -37 -11
CH3OH Methyl alcohol 12 A" 348 -37 -11
CH3CClCHCH3 2-Butene, 2-chloro-, (E)- 30 A" 128 -13 -11
NH2CN cyanamide 5 A' 690 -72 -10
NH2CN cyanamide 5 A' 690 -72 -10
NH2CN cyanamide 5 A' 690 -72 -10
NH2CN cyanamide 5 A' 690 -72 -10
NH2CN cyanamide 5 A' 690 -72 -10
NH2CN cyanamide 5 A' 690 -72 -10
C5H10O 2-Butanone, 3-methyl- 41 A 142 -15 -10
C5H10O 2-Butanone, 3-methyl- 41 A 142 -15 -10
C5H10O 2-Butanone, 3-methyl- 41 A 142 -15 -10
C2H4N4 1H-Tetrazole, 5-methyl- 24 A 92 -9 -10
C2H4N4 1H-Tetrazole, 5-methyl- 24 A 92 -9 -10
C4H7NO Methacrylamide 28 A 426 -43 -10
C5H12O 1-Butanol, 3-methyl- 45 A" 307 -31 -10
C4H7NO Methacrylamide 28 A 426 -43 -10
C4H7NO Methacrylamide 28 A 426 -43 -10
C5H12O 1-Butanol, 3-methyl- 45 A" 309 -31 -10
C5H12O 1-Butanol, 3-methyl- 45 A" 309 -31 -10