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. Author manuscript; available in PMC: 2019 Apr 17.
Published in final edited form as: Phys Chem Chem Phys. 2019 Jan 30;21(5):2337–2344. doi: 10.1039/c8cp07737a

Table 2. Vibrational wavenumbers of the HNC+ electronic ground state.

Mode Wavenumber / cm−1 Method Ref.
ν1 3470 calc. this work
3404 calc. 25
3464 calc. 24
3365.0 exp.a 52
ν2 605 calc. this work
523 calc. 25
618 calc. 24
577.7 or 584.5b exp.a 52
ν3 2260 calc. this work
2163 calc. 25
2212 calc. 24
2260 exp. this workc
2195.2 exp.a 52
a

Measured in neon matrix.

b

Observed but not assigned to ν2 by the authors. The NIST recommends 577.7 cm−1.53

c

±80 cm−1.