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. 2021 Jun 29;154(24):244310. doi: 10.1063/5.0055267

TABLE III.

Inertial defects (Δi in μÅ2) of isotopologues of thiophene from various determinations of the moments of inertia.

Isotopologue Δi r0 Δi reSE (vib. corr. only) Δi reSE
Normal 0.065 61 −0.009 02 0.001 28
[2-13C] 0.066 45 −0.009 00 0.001 30
[3-13C] 0.066 21 −0.009 01 0.001 29
[34S] 0.066 36 −0.008 98 0.001 32
[33S] 0.065 91 −0.009 08 0.001 22
[2-2H] 0.064 90 −0.009 21 0.001 09
[3-2H] 0.064 23 −0.009 03 0.001 28
[2,3-2H] 0.063 42 −0.009 19 0.001 12
[2,4-2H] 0.063 51 −0.009 22 0.001 09
[2,5-2H] 0.063 85 −0.009 38 0.000 93
[3,4-2H] 0.063 13 −0.008 89 0.001 42
[2,3,4-2H] 0.062 16 −0.009 17 0.001 14
[2,3,5-2H] 0.062 38 −0.009 37 0.000 94
[2,3,4,5-2H] 0.061 01 −0.009 33 0.000 98
[2,5-2H, 34S] 0.064 70 −0.009 34 0.000 96
[2,3,5-2H, 34S] 0.063 23 −0.009 30 0.001 00
[2,5-2H, 2-13C] 0.064 43 −0.009 40 0.000 91
[2,5-2H, 3-13C] 0.064 60 −0.009 18 0.001 13
[2-2H, 34S] 0.065 65 −0.009 23 0.001 08
[3-2H, 2-13C] 0.065 10 −0.008 88 0.001 43
[3-2H, 3-13C] 0.064 76 −0.008 99 0.001 31
[3-2H, 4-13C] 0.064 87 −0.009 00 0.001 30
[3-2H, 5-13C] 0.065 06 −0.009 05 0.001 26
[3-2H, 34S] 0.064 95 −0.009 00 0.001 31
Average (x¯) 0.064 44 −0.009 14 0.001 17
Std. dev. (s) 0.001 39 0.000 16 0.000 16