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

B1B95/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	3843	3393	0.530	1.0985	NH stretch
2	A	3632	3207	5.329	1.0499	NH stretch
3	A	3518	3107	0.494	1.1073	CH stretch
4	A	3515	3103	0.432	1.1078	CH stretch
5	A	3459	3054	0.517	1.1076	CH stretch
6	A	3353	2961	3.103	1.0627	CH stretch
7	A	3344	2952	1.056	1.0394	CH stretch
8	A	1912	1688	66.912	8.7111
9	A	1759	1553	17.379	1.1588
10	A	1683	1486	5.492	1.0555
11	A	1675	1479	3.467	1.0442
12	A	1650	1457	1.596	1.093
13	A	1573	1389	1.579	1.2724
14	A	1479	1306	12.640	1.8743
15	A	1380	1219	0.743	1.1971
16	A	1325	1170	105.240	2.1811
17	A	1207	1066	5.760	1.994
18	A	1166	1029	0.463	1.4568
19	A	1128	996	6.226	1.896
20	A	1087	960	2.023	1.4648
21	A	858	757	13.373	1.2856
22	A	832	735	7.119	2.8488
23	A	618	546	114.946	1.9036
24	A	563	497	15.095	3.4545
25	A	516	455	113.009	1.735
26	A	442	390	16.010	2.0462
27	A	380	336	42.164	1.3693
28	A	222	196	3.145	3.3398
29	A	174	154	0.088	1.1553
30	A	44	39	0.735	1.979

Unscaled Zero Point Vibrational Energy (zpe) 24168 cm^-1
Scaled (by 0.883) Zero Point Vibrational Energy (zpe) 21340 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