Table 7.

Thermodynamic functions at different temperature for the molecule 3.

Temperature (K)	S (J/mol K)	C (J/mol K)	H (kJ/mol)
100	427.23	158.8	10.26
200	564.39	246.08	30.55
298.15	678.5	331.1	58.87
300	680.55	332.684	59.49
400	787.698	414.65	96.93
500	888.033	485.08	142.03
600	981.757	542.796	193.52
700	1069.08	589.715	250.22
800	1150.41	628.18	311.18
900	1226.3	660.080	375.64
1000	1297.27	686.82	443.03