Rotational temperature (K)

A

0.25353

0.01836

B

0.16241

0.01218

C

0.09919

0.01104

Thermal energy (kcal∙mol−1)

Total

47.008

105.168

Translational

0.889

0.889

Rotational

0.889

0.889

Vibrational

45.230

103.391

Molar capacity at constant volume (cal∙mol−1∙K)

Total

20.764

62.137

Translational

2.981

2.981

Rotational

2.981

2.981

Vibrational

14.802

56.176

Entropy (cal∙mol−1∙K)

Total

74.613

145.755

Translational

39.718

43.312

Rotational

26.567

33.931

Vibrational

8.328

68.512