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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Calculated > Vibrations > Scale Factors > Scale factor uncertainty |
Scale factor | How many | Source | |
---|---|---|---|
Molecules | Vibrations | ||
0.963 ± 0.079 | 87 | 395 | cccbdb |
Formula | Name | Mode | Symmetry | Frequency | Count | |||
---|---|---|---|---|---|---|---|---|
Theory | Experiment | ratio | molecules | vibrations | ||||
H2 | Hydrogen diatomic | 1 | Σg | 4344 | 4161 | 0.958 | 1 | 1 |
LiH | Lithium Hydride | 1 | Σ | 1344 | 1360 | 1.012 | 2 | 2 |
Li2 | Lithium diatomic | 1 | Σg | 339 | 346 | 1.022 | 3 | 3 |
NaH | sodium hydride | 1 | Σ | 1110 | 1133 | 1.021 | 4 | 4 |
Na2 | Sodium diatomic | 1 | Σg | 149 | 158 | 1.057 | 5 | 5 |
BeH | beryllium monohydride | 1 | Σ | 2021 | 1987 | 0.983 | 6 | 6 |
BH | Boron monohydride | 1 | Σ | 2320 | 2269 | 0.978 | 7 | 7 |
CH | Methylidyne | 1 | Σ | 2815 | 2733 | 0.971 | 8 | 8 |
1 | Σ | 3077 | 8 | 9 | ||||
C2 | Carbon diatomic | 1 | Σg | 1814 | 1827 | 1.007 | 9 | 10 |
SiH | Silylidyne | 1 | Σ | 1996 | 1971 | 0.987 | 10 | 11 |
Si2 | Silicon diatomic | 1 | Σg | 525 | 507 | 0.967 | 11 | 12 |
CN | Cyano radical | 1 | Σ | 2077 | 2042 | 0.983 | 12 | 13 |
N2 | Nitrogen diatomic | 1 | Σg | 2319 | 2330 | 1.005 | 13 | 14 |
1 | Σg | 1712 | 1733 | 1.013 | 13 | 15 | ||
PH | phosphorus monohydride | 1 | Σ | 2328 | 2276 | 0.978 | 14 | 16 |
1 | Σ | 2355 | 2319 | 0.985 | 14 | 17 | ||
P2 | Phosphorus diatomic | 1 | Σg | 747 | 775 | 1.037 | 15 | 18 |
OH | Hydroxyl radical | 1 | Σ | 3681 | 3570 | 0.970 | 16 | 19 |
LiO | lithium oxide | 1 | Σ | 774 | 799 | 1.032 | 17 | 20 |
BeO | beryllium oxide | 1 | Σ | 1368 | 1435 | 1.049 | 18 | 21 |
CO | Carbon monoxide | 1 | Σ | 2104 | 2143 | 1.019 | 19 | 22 |
1 | Σ | 1721 | 19 | 23 | ||||
NaO | sodium monoxide | 1 | Σ | 472 | 20 | 24 | ||
HS | Mercapto radical | 1 | Σ | 2670 | 2599 | 0.973 | 21 | 25 |
BeS | beryllium sulfide | 1 | Σ | 956 | 986 | 1.031 | 22 | 26 |
SO | Sulfur monoxide | 1 | Σ | 1071 | 1138 | 1.062 | 23 | 27 |
1 | Σ | 1007 | 1054 | 1.047 | 23 | 28 | ||
MgS | magnesium sulfide | 1 | Σ | 498 | 523 | 1.050 | 24 | 29 |
SiS | silicon monosulfide | 1 | Σ | 712 | 744 | 1.046 | 25 | 30 |
S2 | Sulfur diatomic | 1 | Σg | 686 | 720 | 1.049 | 26 | 31 |
HF | Hydrogen fluoride | 1 | Σ | 4084 | 3961 | 0.970 | 27 | 32 |
LiF | lithium fluoride | 1 | Σ | 871 | 896 | 1.028 | 28 | 33 |
BeF | Beryllium monofluoride | 1 | Σ | 1190 | 29 | 34 | ||
NF | nitrogen fluoride | 1 | Σ | 1080 | 1123 | 1.040 | 30 | 35 |
F2 | Fluorine diatomic | 1 | Σg | 825 | 894 | 1.083 | 31 | 36 |
NaF | sodium fluoride | 1 | Σ | 530 | 529 | 0.998 | 32 | 37 |
SiF | silicon monofluoride | 1 | Σ | 790 | 848 | 1.073 | 33 | 38 |
SF | Monosulfur monofluoride | 1 | Σ | 802 | 829 | 1.033 | 34 | 39 |
HCl | Hydrogen chloride | 1 | Σ | 2969 | 2886 | 0.972 | 35 | 40 |
LiCl | lithium chloride | 1 | Σ | 603 | 634 | 1.051 | 36 | 41 |
BeCl | beryllium monochloride | 1 | Σ | 816 | 847 | 1.037 | 37 | 42 |
BCl | boron monochloride | 1 | Σ | 804 | 829 | 1.031 | 38 | 43 |
ClF | Chlorine monofluoride | 1 | Σ | 753 | 773 | 1.027 | 39 | 44 |
NaCl | Sodium Chloride | 1 | Σ | 343 | 361 | 1.052 | 40 | 45 |
AlCl | Aluminum monochloride | 1 | Σ | 444 | 478 | 1.075 | 41 | 46 |
SCl | sulfur monochloride | 1 | Σ | 531 | 577 | 1.087 | 42 | 47 |
Cl2 | Chlorine diatomic | 1 | Σg | 502 | 554 | 1.104 | 43 | 48 |
BeH2 | beryllium dihydride | 2 | Σu | 2229 | 2159 | 0.968 | 44 | 49 |
3 | Πu | 724 | 698 | 0.963 | 44 | 50 | ||
MgH2 | magnesium dihydride | 2 | Σu | 1609 | 1572 | 0.977 | 45 | 51 |
3 | Πu | 444 | 440 | 0.991 | 45 | 52 | ||
SiH2 | silicon dihydride | 1 | A1 | 2032 | 1996 | 0.982 | 46 | 53 |
2 | A1 | 1018 | 999 | 0.981 | 46 | 54 | ||
3 | B2 | 2029 | 1993 | 0.982 | 46 | 55 | ||
HCN | Hydrogen cyanide | 1 | Σ | 3416 | 3312 | 0.969 | 47 | 56 |
2 | Σ | 2078 | 2089 | 1.005 | 47 | 57 | ||
3 | Π | 692 | 712 | 1.028 | 47 | 58 | ||
H2O | Water | 1 | A1 | 3788 | 3657 | 0.965 | 48 | 59 |
2 | A1 | 1637 | 1595 | 0.974 | 48 | 60 | ||
3 | B2 | 3907 | 3756 | 0.961 | 48 | 61 | ||
LiOH | lithium hydroxide | 1 | Σ | 3992 | 3688 | 0.924 | 49 | 62 |
2 | Σ | 912 | 871 | 0.955 | 49 | 63 | ||
3 | Π | 308 | 257 | 0.833 | 49 | 64 | ||
HCO | Formyl radical | 1 | A' | 2676 | 2434 | 0.910 | 50 | 65 |
2 | A' | 1848 | 1868 | 1.011 | 50 | 66 | ||
3 | A' | 1097 | 1081 | 0.985 | 50 | 67 | ||
HO2 | Hydroperoxy radical | 1 | A' | 3620 | 3436 | 0.949 | 51 | 68 |
2 | A' | 1426 | 1392 | 0.976 | 51 | 69 | ||
3 | A' | 1080 | 1098 | 1.016 | 51 | 70 | ||
CO2 | Carbon dioxide | 1 | Σg | 1316 | 1333 | 1.013 | 52 | 71 |
2 | Σu | 2338 | 2349 | 1.005 | 52 | 72 | ||
3 | Πu | 659 | 667 | 1.012 | 52 | 73 | ||
N2O | Nitrous oxide | 1 | Σ | 2242 | 2224 | 0.992 | 53 | 74 |
2 | Σ | 1277 | 1285 | 1.006 | 53 | 75 | ||
3 | Π | 567 | 589 | 1.039 | 53 | 76 | ||
H2S | Hydrogen sulfide | 1 | A1 | 2693 | 2615 | 0.971 | 54 | 77 |
2 | A1 | 1189 | 1183 | 0.995 | 54 | 78 | ||
3 | B2 | 2714 | 2626 | 0.968 | 54 | 79 | ||
SO2 | Sulfur dioxide | 1 | A1 | 1047 | 1151 | 1.100 | 55 | 80 |
2 | A1 | 473 | 518 | 1.094 | 55 | 81 | ||
3 | B2 | 1213 | 1362 | 1.122 | 55 | 82 | ||
HOF | Hypofluorous acid | 1 | A' | 3720 | 3578 | 0.962 | 56 | 83 |
2 | A' | 1365 | 1362 | 0.998 | 56 | 84 | ||
3 | A' | 854 | 893 | 1.047 | 56 | 85 | ||
BH3 | boron trihydride | 2 | A2" | 1146 | 1148 | 1.001 | 57 | 86 |
3 | E' | 2676 | 2602 | 0.972 | 57 | 87 | ||
4 | E' | 1203 | 1197 | 0.995 | 57 | 88 | ||
AlH3 | aluminum trihydride | 1 | A1' | 1905 | 1900 | 0.998 | 58 | 89 |
2 | A2" | 722 | 698 | 0.967 | 58 | 90 | ||
3 | E' | 1911 | 1883 | 0.985 | 58 | 91 | ||
4 | E' | 787 | 783 | 0.995 | 58 | 92 | ||
C2H2 | Acetylene | 1 | Σg | 3478 | 3374 | 0.970 | 59 | 93 |
2 | Σg | 1970 | 1974 | 1.002 | 59 | 94 | ||
3 | Σu | 3384 | 3289 | 0.972 | 59 | 95 | ||
4 | Πg | 368 | 612 | 1.663 | 59 | 96 | ||
5 | Πu | 692 | 730 | 1.056 | 59 | 97 | ||
SiH3 | Silyl radical | 1 | A1 | 2188 | 2136 | 0.976 | 60 | 98 |
2 | A1 | 758 | 728 | 0.960 | 60 | 99 | ||
3 | E | 2226 | 2185 | 0.982 | 60 | 100 | ||
4 | E | 923 | 922 | 0.999 | 60 | 101 | ||
P4 | Phosphorus tetramer | 1 | A1 | 578 | 601 | 1.039 | 61 | 102 |
2 | E | 342 | 361 | 1.056 | 61 | 103 | ||
3 | T2 | 431 | 467 | 1.083 | 61 | 104 | ||
H2CO | Formaldehyde | 1 | A1 | 2932 | 2782 | 0.949 | 62 | 105 |
2 | A1 | 1737 | 1746 | 1.005 | 62 | 106 | ||
3 | A1 | 1515 | 1500 | 0.990 | 62 | 107 | ||
4 | B1 | 1167 | 1167 | 1.000 | 62 | 108 | ||
5 | B2 | 3010 | 2843 | 0.945 | 62 | 109 | ||
6 | B2 | 1245 | 1249 | 1.004 | 62 | 110 | ||
H2O2 | Hydrogen peroxide | 1 | A | 3753 | 3599 | 0.959 | 63 | 111 |
2 | A | 1409 | 1402 | 0.995 | 63 | 112 | ||
3 | A | 842 | 877 | 1.042 | 63 | 113 | ||
4 | A | 385 | 371 | 0.964 | 63 | 114 | ||
5 | B | 3754 | 3608 | 0.961 | 63 | 115 | ||
6 | B | 1301 | 1266 | 0.973 | 63 | 116 | ||
H2CS | Thioformaldehyde | 1 | A1 | 3079 | 2971 | 0.965 | 64 | 117 |
2 | A1 | 1486 | 1456 | 0.979 | 64 | 118 | ||
3 | A1 | 1050 | 1059 | 1.008 | 64 | 119 | ||
4 | B1 | 994 | 990 | 0.996 | 64 | 120 | ||
5 | B2 | 3175 | 3025 | 0.953 | 64 | 121 | ||
6 | B2 | 999 | 991 | 0.992 | 64 | 122 | ||
H2S2 | Disulfane | 1 | A | 2656 | 2556 | 0.962 | 65 | 123 |
2 | A | 879 | 882 | 1.004 | 65 | 124 | ||
3 | A | 488 | 515 | 1.054 | 65 | 125 | ||
4 | A | 415 | 417 | 1.007 | 65 | 126 | ||
5 | B | 2659 | 2559 | 0.962 | 65 | 127 | ||
6 | B | 873 | 878 | 1.006 | 65 | 128 | ||
BF3 | Borane, trifluoro- | 1 | A1' | 840 | 888 | 1.057 | 66 | 129 |
2 | A2" | 708 | 691 | 0.976 | 66 | 130 | ||
3 | E' | 1404 | 1449 | 1.032 | 66 | 131 | ||
4 | E' | 457 | 480 | 1.050 | 66 | 132 | ||
AlF3 | Aluminum trifluoride | 1 | A1' | 667 | 690 | 1.035 | 67 | 133 |
2 | A2" | 293 | 297 | 1.013 | 67 | 134 | ||
3 | E' | 926 | 935 | 1.010 | 67 | 135 | ||
4 | E' | 245 | 263 | 1.073 | 67 | 136 | ||
BCl3 | Borane, trichloro- | 1 | A1' | 469 | 471 | 1.005 | 68 | 137 |
2 | A2" | 450 | 460 | 1.021 | 68 | 138 | ||
3 | E' | 960 | 956 | 0.996 | 68 | 139 | ||
4 | E' | 252 | 243 | 0.965 | 68 | 140 | ||
CH4 | Methane | 1 | A1 | 3017 | 2917 | 0.967 | 69 | 141 |
2 | E | 1535 | 1534 | 0.999 | 69 | 142 | ||
3 | T2 | 3145 | 3019 | 0.960 | 69 | 143 | ||
4 | T2 | 1319 | 1306 | 0.990 | 69 | 144 | ||
HCOOH | Formic acid | 1 | A' | 3745 | 3570 | 0.953 | 70 | 145 |
2 | A' | 3722 | 2943 | 0.791 | 70 | 146 | ||
3 | A' | 3097 | 1770 | 0.572 | 70 | 147 | ||
4 | A' | 3082 | 1387 | 0.450 | 70 | 148 | ||
5 | A' | 1844 | 1229 | 0.667 | 70 | 149 | ||
6 | A' | 1776 | 1105 | 0.622 | 70 | 150 | ||
7 | A' | 1415 | 625 | 0.442 | 70 | 151 | ||
C2H4 | Ethylene | 1 | Ag | 3149 | 3026 | 0.961 | 71 | 152 |
2 | Ag | 1653 | 1623 | 0.982 | 71 | 153 | ||
3 | Ag | 1353 | 1342 | 0.992 | 71 | 154 | ||
4 | Au | 1016 | 1023 | 1.007 | 71 | 155 | ||
5 | B1u | 3131 | 2989 | 0.955 | 71 | 156 | ||
6 | B1u | 1459 | 1444 | 0.989 | 71 | 157 | ||
7 | B2g | 928 | 940 | 1.013 | 71 | 158 | ||
8 | B2u | 3245 | 3105 | 0.957 | 71 | 159 | ||
9 | B2u | 814 | 826 | 1.015 | 71 | 160 | ||
10 | B3g | 3217 | 3086 | 0.959 | 71 | 161 | ||
11 | B3g | 1223 | 1217 | 0.995 | 71 | 162 | ||
12 | B3u | 958 | 949 | 0.991 | 71 | 163 | ||
C4H2 | Diacetylene | 6 | Πg | 540 | 627 | 1.160 | 72 | 164 |
7 | Πg | 662i | 482 | -0.728 | 72 | 165 | ||
8 | Πu | 500 | 630 | 1.261 | 72 | 166 | ||
9 | Πu | 114 | 231 | 2.023 | 72 | 167 | ||
CH3OH | Methyl alcohol | 1 | A' | 3820 | 3681 | 0.964 | 73 | 168 |
2 | A' | 3127 | 3000 | 0.959 | 73 | 169 | ||
3 | A' | 3005 | 2844 | 0.946 | 73 | 170 | ||
4 | A' | 1491 | 1477 | 0.991 | 73 | 171 | ||
5 | A' | 1457 | 1455 | 0.999 | 73 | 172 | ||
6 | A' | 1372 | 1345 | 0.980 | 73 | 173 | ||
7 | A' | 1067 | 1060 | 0.994 | 73 | 174 | ||
8 | A' | 1037 | 1033 | 0.996 | 73 | 175 | ||
9 | A" | 3070 | 2960 | 0.964 | 73 | 176 | ||
10 | A" | 1480 | 1477 | 0.998 | 73 | 177 | ||
11 | A" | 1159 | 1165 | 1.005 | 73 | 178 | ||
12 | A" | 310 | 200 | 0.646 | 73 | 179 | ||
CHONH2 | formamide | 1 | A' | 3731 | 3564 | 0.955 | 74 | 180 |
2 | A' | 3580 | 3439 | 0.961 | 74 | 181 | ||
3 | A' | 2994 | 2854 | 0.953 | 74 | 182 | ||
4 | A' | 1757 | 1754 | 0.998 | 74 | 183 | ||
5 | A' | 1617 | 1577 | 0.975 | 74 | 184 | ||
6 | A' | 1396 | 1390 | 0.996 | 74 | 185 | ||
7 | A' | 1263 | 1258 | 0.997 | 74 | 186 | ||
8 | A' | 1043 | 1046 | 1.002 | 74 | 187 | ||
9 | A' | 554 | 581 | 1.050 | 74 | 188 | ||
10 | A" | 1022 | 1021 | 0.999 | 74 | 189 | ||
11 | A" | 623 | 603 | 0.967 | 74 | 190 | ||
12 | A" | 47i | 289 | -6.185 | 74 | 191 | ||
B2Cl4 | Diboron tetrachloride | 1 | A1 | 1151 | 1122 | 0.975 | 75 | 192 |
2 | A1 | 401 | 401 | 1.001 | 75 | 193 | ||
3 | A1 | 170 | 176 | 1.037 | 75 | 194 | ||
5 | B2 | 725 | 728 | 1.004 | 75 | 195 | ||
6 | B2 | 287 | 289 | 1.007 | 75 | 196 | ||
7 | E | 923 | 917 | 0.994 | 75 | 197 | ||
8 | E | 490 | 512 | 1.045 | 75 | 198 | ||
9 | E | 95 | 104 | 1.095 | 75 | 199 | ||
CH2N4 | 1H-Tetrazole | 1 | A' | 3655 | 3447 | 0.943 | 76 | 200 |
2 | A' | 3291 | 3102 | 0.942 | 76 | 201 | ||
3 | A' | 1484 | 1441 | 0.971 | 76 | 202 | ||
4 | A' | 1456 | 1384 | 0.951 | 76 | 203 | ||
5 | A' | 1255 | 1259 | 1.003 | 76 | 204 | ||
6 | A' | 1243 | 1159 | 0.933 | 76 | 205 | ||
7 | A' | 1129 | 1084 | 0.960 | 76 | 206 | ||
8 | A' | 1047 | 1015 | 0.969 | 76 | 207 | ||
9 | A' | 1028 | 1002 | 0.975 | 76 | 208 | ||
10 | A' | 989 | 969 | 0.980 | 76 | 209 | ||
11 | A' | 936 | 925 | 0.988 | 76 | 210 | ||
12 | A" | 831 | 906 | 1.090 | 76 | 211 | ||
13 | A" | 711 | 663 | 0.932 | 76 | 212 | ||
14 | A" | 673 | 658 | 0.978 | 76 | 213 | ||
15 | A" | 538 | 578 | 1.074 | 76 | 214 | ||
B2H6 | Diborane | 1 | Ag | 2604 | 2530 | 0.972 | 77 | 215 |
2 | Ag | 2160 | 2088 | 0.967 | 77 | 216 | ||
3 | Ag | 1190 | 1183 | 0.994 | 77 | 217 | ||
4 | Ag | 801 | 790 | 0.986 | 77 | 218 | ||
5 | Au | 833 | 833 | 1.001 | 77 | 219 | ||
6 | B1g | 2680 | 2596 | 0.969 | 77 | 220 | ||
7 | B1g | 923 | 915 | 0.991 | 77 | 221 | ||
8 | B1u | 1979 | 1930 | 0.975 | 77 | 222 | ||
9 | B1u | 982 | 973 | 0.991 | 77 | 223 | ||
10 | B2g | 1873 | 1760 | 0.940 | 77 | 224 | ||
11 | B2g | 876 | 860 | 0.982 | 77 | 225 | ||
12 | B2u | 2697 | 2609 | 0.967 | 77 | 226 | ||
13 | B2u | 962 | 949 | 0.987 | 77 | 227 | ||
14 | B2u | 366 | 369 | 1.008 | 77 | 228 | ||
15 | B3g | 1051 | 1020 | 0.970 | 77 | 229 | ||
16 | B3u | 2588 | 2520 | 0.974 | 77 | 230 | ||
17 | B3u | 1741 | 1603 | 0.921 | 77 | 231 | ||
18 | B3u | 1174 | 1172 | 0.998 | 77 | 232 | ||
C2H6 | Ethane | 1 | A1g | 3023 | 2954 | 0.977 | 78 | 233 |
2 | A1g | 1408 | 1388 | 0.986 | 78 | 234 | ||
3 | A1g | 1012 | 995 | 0.984 | 78 | 235 | ||
4 | A1u | 312 | 289 | 0.926 | 78 | 236 | ||
5 | A2u | 3019 | 2896 | 0.959 | 78 | 237 | ||
6 | A2u | 1380 | 1379 | 0.999 | 78 | 238 | ||
7 | Eg | 3085 | 2969 | 0.962 | 78 | 239 | ||
8 | Eg | 1483 | 1468 | 0.990 | 78 | 240 | ||
9 | Eg | 1206 | 1190 | 0.986 | 78 | 241 | ||
10 | Eu | 3106 | 2985 | 0.961 | 78 | 242 | ||
11 | Eu | 1484 | 1469 | 0.990 | 78 | 243 | ||
12 | Eu | 809 | 822 | 1.016 | 78 | 244 | ||
C3H5 | Allyl radical | 1 | A1 | 3250 | 3114 | 0.958 | 79 | 245 |
2 | A1 | 3156 | 3048 | 0.966 | 79 | 246 | ||
4 | A1 | 1513 | 1488 | 0.983 | 79 | 247 | ||
5 | A1 | 1260 | 1245 | 0.988 | 79 | 248 | ||
6 | A1 | 1026 | 1066 | 1.039 | 79 | 249 | ||
7 | A1 | 420 | 427 | 1.016 | 79 | 250 | ||
9 | A2 | 548 | 549 | 1.003 | 79 | 251 | ||
10 | B1 | 984 | 968 | 0.984 | 79 | 252 | ||
11 | B1 | 793 | 802 | 1.011 | 79 | 253 | ||
12 | B1 | 525 | 518 | 0.986 | 79 | 254 | ||
13 | B2 | 3246 | 3105 | 0.956 | 79 | 255 | ||
14 | B2 | 3139 | 3016 | 0.961 | 79 | 256 | ||
15 | B2 | 1504 | 1463 | 0.973 | 79 | 257 | ||
16 | B2 | 1405 | 1389 | 0.988 | 79 | 258 | ||
17 | B2 | 1184 | 1182 | 0.999 | 79 | 259 | ||
C3H6 | Cyclopropane | 1 | A1' | 3141 | 3038 | 0.967 | 80 | 260 |
2 | A1' | 1507 | 1479 | 0.982 | 80 | 261 | ||
3 | A1' | 1202 | 1188 | 0.988 | 80 | 262 | ||
4 | A1" | 1136 | 1126 | 0.991 | 80 | 263 | ||
5 | A2' | 1051 | 1070 | 1.018 | 80 | 264 | ||
6 | A2" | 3237 | 3103 | 0.959 | 80 | 265 | ||
7 | A2" | 837 | 854 | 1.020 | 80 | 266 | ||
8 | E' | 3129 | 3025 | 0.967 | 80 | 267 | ||
9 | E' | 1453 | 1438 | 0.989 | 80 | 268 | ||
10 | E' | 1031 | 1029 | 0.998 | 80 | 269 | ||
11 | E' | 876 | 866 | 0.989 | 80 | 270 | ||
12 | E" | 3216 | 3082 | 0.958 | 80 | 271 | ||
13 | E" | 1194 | 1188 | 0.995 | 80 | 272 | ||
14 | E" | 722 | 739 | 1.024 | 80 | 273 | ||
CH2CHCH3 | Propene | 1 | A' | 3226 | 3090 | 0.958 | 81 | 274 |
2 | A' | 3144 | 3013 | 0.958 | 81 | 275 | ||
3 | A' | 3128 | 2991 | 0.956 | 81 | 276 | ||
4 | A' | 3100 | 2954 | 0.953 | 81 | 277 | ||
5 | A' | 3011 | 2871 | 0.954 | 81 | 278 | ||
6 | A' | 1680 | 1650 | 0.982 | 81 | 279 | ||
7 | A' | 1476 | 1470 | 0.996 | 81 | 280 | ||
8 | A' | 1438 | 1420 | 0.988 | 81 | 281 | ||
9 | A' | 1384 | 1378 | 0.995 | 81 | 282 | ||
10 | A' | 1306 | 1297 | 0.993 | 81 | 283 | ||
11 | A' | 1179 | 1171 | 0.994 | 81 | 284 | ||
12 | A' | 929 | 963 | 1.037 | 81 | 285 | ||
13 | A' | 925 | 920 | 0.995 | 81 | 286 | ||
14 | A' | 414 | 428 | 1.033 | 81 | 287 | ||
15 | A" | 3077 | 2954 | 0.960 | 81 | 288 | ||
16 | A" | 1459 | 1443 | 0.989 | 81 | 289 | ||
17 | A" | 1047 | 1045 | 0.998 | 81 | 290 | ||
18 | A" | 987 | 991 | 1.004 | 81 | 291 | ||
19 | A" | 911 | 912 | 1.001 | 81 | 292 | ||
20 | A" | 570 | 578 | 1.014 | 81 | 293 | ||
21 | A" | 199 | 174 | 0.874 | 81 | 294 | ||
CHCCH2CH3 | 1-Butyne | 1 | A' | 3444 | 3332 | 0.967 | 82 | 295 |
2 | A' | 3111 | 2988 | 0.961 | 82 | 296 | ||
3 | A' | 3031 | 82 | 297 | ||||
4 | A' | 3028 | 82 | 298 | ||||
5 | A' | 2138 | 2116 | 0.990 | 82 | 299 | ||
6 | A' | 1482 | 1470 | 0.992 | 82 | 300 | ||
7 | A' | 1458 | 1446 | 0.992 | 82 | 301 | ||
8 | A' | 1391 | 1385 | 0.996 | 82 | 302 | ||
9 | A' | 1329 | 1322 | 0.995 | 82 | 303 | ||
10 | A' | 1079 | 1070 | 0.991 | 82 | 304 | ||
11 | A' | 1026 | 1008 | 0.983 | 82 | 305 | ||
12 | A' | 838 | 840 | 1.003 | 82 | 306 | ||
13 | A' | 563 | 634 | 1.126 | 82 | 307 | ||
14 | A' | 468 | 509 | 1.088 | 82 | 308 | ||
15 | A' | 167 | 197 | 1.174 | 82 | 309 | ||
16 | A" | 3116 | 2988 | 0.959 | 82 | 310 | ||
17 | A" | 3071 | 2939 | 0.957 | 82 | 311 | ||
18 | A" | 1477 | 1462 | 0.990 | 82 | 312 | ||
19 | A" | 1271 | 1261 | 0.992 | 82 | 313 | ||
20 | A" | 1093 | 1090 | 0.998 | 82 | 314 | ||
21 | A" | 772 | 782 | 1.013 | 82 | 315 | ||
22 | A" | 545 | 630 | 1.155 | 82 | 316 | ||
23 | A" | 301 | 344 | 1.141 | 82 | 317 | ||
24 | A" | 199 | 213 | 1.068 | 82 | 318 | ||
CH3CHClCH3 | Propane, 2-chloro- | 1 | A' | 3125 | 3005 | 0.962 | 83 | 319 |
2 | A' | 3103 | 2955 | 0.952 | 83 | 320 | ||
3 | A' | 3078 | 2927 | 0.951 | 83 | 321 | ||
4 | A' | 3020 | 2878 | 0.953 | 83 | 322 | ||
5 | A' | 1486 | 1472 | 0.990 | 83 | 323 | ||
6 | A' | 1472 | 1454 | 0.988 | 83 | 324 | ||
7 | A' | 1399 | 1390 | 0.993 | 83 | 325 | ||
8 | A' | 1273 | 1270 | 0.998 | 83 | 326 | ||
9 | A' | 1176 | 1163 | 0.989 | 83 | 327 | ||
10 | A' | 1066 | 1065 | 0.999 | 83 | 328 | ||
11 | A' | 902 | 888 | 0.985 | 83 | 329 | ||
12 | A' | 622 | 633 | 1.017 | 83 | 330 | ||
13 | A' | 418 | 418 | 1.001 | 83 | 331 | ||
14 | A' | 334 | 336 | 1.005 | 83 | 332 | ||
15 | A' | 266 | 253 | 0.950 | 83 | 333 | ||
16 | A" | 3120 | 2997 | 0.960 | 83 | 334 | ||
17 | A" | 3095 | 2985 | 0.965 | 83 | 335 | ||
18 | A" | 3016 | 2947 | 0.977 | 83 | 336 | ||
19 | A" | 1466 | 1472 | 1.004 | 83 | 337 | ||
20 | A" | 1460 | 1454 | 0.996 | 83 | 338 | ||
21 | A" | 1390 | 1377 | 0.990 | 83 | 339 | ||
22 | A" | 1342 | 1334 | 0.994 | 83 | 340 | ||
23 | A" | 1152 | 1123 | 0.975 | 83 | 341 | ||
24 | A" | 944 | 972 | 1.030 | 83 | 342 | ||
25 | A" | 923 | 936 | 1.014 | 83 | 343 | ||
26 | A" | 321 | 317 | 0.986 | 83 | 344 | ||
27 | A" | 233 | 276 | 1.183 | 83 | 345 | ||
CH3CH2CH2CN | Butanenitrile | 1 | A' | 3105 | 2977 | 0.959 | 84 | 346 |
2 | A' | 3040 | 2895 | 0.952 | 84 | 347 | ||
3 | A' | 3032 | 2888 | 0.953 | 84 | 348 | ||
4 | A' | 3015 | 2883 | 0.956 | 84 | 349 | ||
5 | A' | 2250 | 2263 | 1.006 | 84 | 350 | ||
6 | A' | 1487 | 1472 | 0.990 | 84 | 351 | ||
7 | A' | 1472 | 1457 | 0.990 | 84 | 352 | ||
8 | A' | 1453 | 1438 | 0.990 | 84 | 353 | ||
9 | A' | 1397 | 1393 | 0.997 | 84 | 354 | ||
10 | A' | 1371 | 1346 | 0.982 | 84 | 355 | ||
11 | A' | 1281 | 1334 | 1.042 | 84 | 356 | ||
12 | A' | 1108 | 1100 | 0.993 | 84 | 357 | ||
13 | A' | 1059 | 1053 | 0.994 | 84 | 358 | ||
14 | A' | 952 | 920 | 0.967 | 84 | 359 | ||
15 | A' | 869 | 842 | 0.968 | 84 | 360 | ||
16 | A' | 510 | 551 | 1.080 | 84 | 361 | ||
17 | A' | 338 | 358 | 1.060 | 84 | 362 | ||
18 | A' | 158 | 84 | 363 | ||||
19 | A" | 3100 | 2986 | 0.963 | 84 | 364 | ||
20 | A" | 3085 | 2964 | 0.961 | 84 | 365 | ||
21 | A" | 3069 | 2950 | 0.961 | 84 | 366 | ||
22 | A" | 1480 | 1469 | 0.992 | 84 | 367 | ||
23 | A" | 1310 | 1267 | 0.967 | 84 | 368 | ||
24 | A" | 1244 | 1234 | 0.992 | 84 | 369 | ||
25 | A" | 1115 | 1083 | 0.972 | 84 | 370 | ||
26 | A" | 859 | 871 | 1.014 | 84 | 371 | ||
27 | A" | 731 | 764 | 1.045 | 84 | 372 | ||
28 | A" | 359 | 370 | 1.031 | 84 | 373 | ||
29 | A" | 236 | 84 | 374 | ||||
30 | A" | 94 | 84 | 375 |
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180 | ![]() |
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160 | ![]() |
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140 | ![]() |
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120 | ![]() |
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100 | ![]() |
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80 | ![]() |
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60 | ![]() |
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40 | ![]() |
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20 | ![]() |
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0 | ![]() |
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0.70 | 0.75 | 0.80 | 0.85 | 0.90 | 0.95 | 1.00 | 1.05 | 1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | ||||||||||||||||||||||||||||||
Ratio of experimental frequency to calculated frequency |