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Table 3

Rotational partition function values Qrot and vibrational correction factors Fvib to the rotational partition function of 3-methyl-anti-butyronitrile and 3-methyl-gauche-butyronitrile at selected temperatures.

Temperature [K] Qrot Fvib
anti-Conformer

300.0 167528.1804 29.8662
225.0 108812.7451 9.4436
180.0 77860.0623 4.8536
150.0 59230.1562 3.1820
120.0 42381.6498 2.1516
75.0 20941.0226 1.3242
37.5 7403.76952 1.0371
18.75 2617.6278 1.0012
9.375 925.4712 1.0000

gauche-Conformer

300.0 161221.7655 28.6185
225.0 104716.6084 9.1633
180.0 74929.1055 4.7484
150.0 57000.5018 3.1295
120.0 40786.2390 2.1261
75.0 20152.7207 1.3163
37.5 7125.0627 1.0356
18.75 2519.0901 1.0010
9.375 890.6328 1.0000

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