. Author manuscript; available in PMC: 2021 Oct 27.

Published in final edited form as: Astrophys J. 2021 Jul 8;915(2):76. doi: 10.3847/1538-4357/ac013f

Table 4. Rotational and vibrational partition functions of cis– cyanoacetic acid.

Temperature (K)	Q_r ^(a)	Q_v ^(b)
3.00	134.3515	1.0001
9.38	737.1679	1.0008
18.37	2081.8097	1.0293
37.50	5884.2420	1.2065
75.00	16640.5107	1.7985
150.00	47079.8270	3.9574
225.00	86551.9930	8.7615
300.00	133184.4558	19.5677

Notes.

^(a)

Q_r is the rotational partition function. It does not take the hyperfine splitting into account and we took J = 15 0 as the maximum J value.

^(b)

Q_v is the vibrational partition function. The total partition function of the molecule is Q_r × Q_v. If the hyperfine structure is taken into account, Q_TOT should be multiplied by the nuclear spin statics contribution.