Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Vibrational Spectra of the Azabenzenes Revisited: Anharmonic Force
  Fields   Anharmonic force fields and vibrational spectra of the azabenzene series
(pyridine, pyridazine, pyrimidine, pyrazine, s-triazine, 1,2,3-triazine,
1,2,4-triazine and s-tetrazine) and benzene are obtained using density
functional theory (DFT) with the B97-1 exchange-correlation functional and a
triple-zeta plus double polarization (TZ2P) basis set. Overall, the fundamental
frequencies computed by second-order rovibrational perturbation theory are in
excellent agreement with experiment. The resolution of the presently calculated
anharmonic spectra is such that they represent an extremely useful tool for the
assignment and interpretation of the experimental spectra, especially where
resonances are involved.

31
The categories of this paper are: ao-sci
37
The categories of this paper are: supr-con
8
The categories of this paper are: hep-ex
10
The categories of this paper are: q-bio
21
The categories of this paper are: adap-org
1
The categories of this paper are: cs
13
The categories of this paper are: quant-ph
24
The categories of this paper are: dg-ga
11
The categories of this paper are: hep-lat
33
The categories of this paper are: plasm-ph
32
The categories of this paper are: atom-ph
19
The categories of this paper are: eess
14
The categories of this paper are: math-ph
26
The categories of this paper are: bayes-an
0
The categories of this paper are: hep-ph
30
The categories of this paper are: q-alg