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Table 3

Partition function of 2-aminopropionitrile.

T in K Qgroundstate Qtotala

300 88750.34 221539.58
225 57645.03 116321.72
150 31377.98 46473.48
75 11093.79 11731.97
37.5 3922.25 3926.67
18.75 1386.72 1386.73
9.375 490.28 490.28

Notes. 

(a)

The vibrational part includes the contribution of the five excited vibrational states v27 = 1, v26 = 1, v25 = 1, v24 = 1, and v27 = 2.

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