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

BLYP/6-311G** 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	3609	3595	19.317	1.1046
2	A	3477	3464	14.341	1.044
3	A	3046	3034	20.327	1.1003
4	A	3024	3012	36.358	1.1021
5	A	2971	2959	27.875	1.0698
6	A	2967	2955	25.386	1.0629
7	A	2938	2927	22.171	1.0606
8	A	1704	1697	256.770	8.1562
9	A	1572	1566	84.810	1.229
10	A	1473	1467	8.315	1.05
11	A	1459	1453	8.014	1.0401
12	A	1432	1427	6.278	1.079
13	A	1376	1371	9.817	1.2094
14	A	1340	1335	47.933	2.0376
15	A	1256	1251	17.061	1.2934
16	A	1239	1234	95.450	1.8323
17	A	1086	1082	2.883	1.9232
18	A	1067	1063	0.619	1.6869
19	A	1019	1015	5.367	2.1821
20	A	973	969	1.639	1.6956
21	A	797	794	6.064	1.4488
22	A	751	748	5.992	2.4959
23	A	645	642	3.964	1.83
24	A	584	582	9.874	2.0779
25	A	492	490	5.911	1.6136
26	A	423	421	2.898	2.6565
27	A	254	253	9.100	3.2271
28	A	197	196	21.547	1.0818
29	A	185	184	165.299	1.2802
30	A	37	37	2.872	2.0995

Unscaled Zero Point Vibrational Energy (zpe) 21696 cm^-1
Scaled (by 0.9961) Zero Point Vibrational Energy (zpe) 21611 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