IV.C.1. (XIII.D.1.)

Compare vibrational frequencies in CCCBDB for CHONH₂ (formamide)

HF/6-31G*

Frequency in cm^-1

	Calculated			Experimental
Mode Number	Symmetry	Frequency	diff	Symmetry	Frequency	Comment
1	A'	3570	6	A'	3564
2	A'	3449	9	A'	3439
3	A'	2888	35	A'	2854
4	A'	1796	42	A'	1754
5	A'	1607	31	A'	1577
6	A'	1405	15	A'	1390
7	A'	1239	-19	A'	1258
8	A'	1042	-3	A'	1046
9	A'	555	-26	A'	581
10	A"	1063	41	A"	1021
11	A"	605	2	A"	603
12	A"	97	-191	A"	289

The calculated vibrational frequencies were scaled by 0.8985

See section XIII.C.3 List or set vibrational scaling factors to change the scale factors used here.
See section III.B.3.c Calculate a vibrational scaling factor for a set of molecules to determine the least squares best scaling factor.
See section III.B.3.b List of vibrational scaling factors and their uncertainties for information on where the above scaling factor is from.