Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calculated Frequencies for C₃H₇NO (Propanamide) ¹A^' C₁

B3PW91/STO-3G ¹A^' C1

Mode Number	Symmetry	Frequency (cm-1)	Scaled Frequency (cm-1)	IR Intensity (km/mol)	reduced mass (u)	description	Raman Act (Å4/u)	Dep P	Dep U
1	A	3832	3391	0.205	1.0981
2	A	3621	3205	4.119	1.0499
3	A	3514	3109	0.667	1.1072
4	A	3510	3106	0.570	1.1076
5	A	3454	3056	0.637	1.1074
6	A	3347	2962	3.340	1.0623
7	A	3339	2955	1.125	1.0395
8	A	1898	1679	64.865	8.2425
9	A	1765	1562	15.494	1.1583
10	A	1688	1494	5.390	1.0552
11	A	1681	1488	3.452	1.0443
12	A	1654	1464	1.726	1.0923
13	A	1577	1396	1.599	1.2657
14	A	1481	1310	10.047	1.8188
15	A	1386	1226	0.742	1.1943
16	A	1324	1172	101.908	2.1377
17	A	1208	1069	7.420	1.9952
18	A	1169	1034	0.429	1.4486
19	A	1127	998	7.640	1.8668
20	A	1089	964	1.960	1.5294
21	A	860	761	13.464	1.2867
22	A	829	734	7.854	2.8856
23	A	629	557	140.333	1.7359
24	A	564	499	16.451	3.661
25	A	523	462	87.364	1.8991
26	A	441	391	16.088	2.1492
27	A	383	339	38.609	1.33
28	A	229	203	2.997	3.4031
29	A	178	157	0.152	1.1408
30	A	43	38	0.723	2.0003

Unscaled Zero Point Vibrational Energy (zpe) 24171 cm^-1
Scaled (by 0.885) Zero Point Vibrational Energy (zpe) 21391 cm^-1

See section Calculated; Vibrations; Scale Factors; Set scaling factors to change the scale factors used here.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to determine the least squares best scaling factor.

List of Irreducible Representations for C₁