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. 2015 Jun 16;115(15):948–982. doi: 10.1002/qua.24931

Table 8.

Harmonic ω, anharmonic ν wavenumbers for cyclopropane (in cm−1)

State Symm. ω Inline graphic Inline graphic Inline graphic Inline graphic Inline graphic
Inline graphic Inline graphic 3163 3042 3040 3041 3046 3027
Inline graphic 3061 2993 2983 2982 2954
Inline graphic Inline graphic 1531 1502 1497 1498 1515 1499
Inline graphic 1487 1471 1478 1475 1459 1461
Inline graphic Inline graphic 1218 1191 1191 1191 1191 1189
Inline graphic Inline graphic 1162 1129 1129 1129 1129 1127
Inline graphic Inline graphic 1095 1072 1072 1072 1072 1067
Inline graphic Inline graphic 3254 3108 3108 3108 3108 3102
Inline graphic Inline graphic 863 860 860 860 860 854
Inline graphic Inline graphic 3154 3006 3005 3005 3016 3019
Inline graphic 3016 2909 2924 2926 2907
Inline graphic Inline graphic 1486 1422 1441 1441 1446 1440
Inline graphic 1487 1515 1505 1495 1491 1480
Inline graphic Inline graphic 1056 1030 1030 1030 1030 1028
Inline graphic Inline graphic 887 854 854 854 854 868
Inline graphic Inline graphic 3233 3087 3087 3087 3087 3082
Inline graphic Inline graphic 1219 1194 1194 1194 1194 1191
Inline graphic Inline graphic 744 742 744 742 742 738
Inline graphic 1775 1714 1714 1714 1714 1727
Inline graphic 1775 1690 1690 1690 1690 1734
Inline graphic 2150 2097 2097 2097 2097 2090
Inline graphic 1838 1814 1817 1814 1814 1805
Inline graphic 1799 1772 1775 1779 1772 1766
Inline graphic 1799 1771 1774 1771 1771 1767
Inline graphic 1799 1772 1775 1773 1772

Computed values at the B2PLYP/AVTZ level.

The vibrational states are indicated asInline graphic. Observed values were taken from Ref.170.

Note that the l-doubling betweenInline graphic andInline graphic has not been taken into account in the experimental values.