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	hartrees
Energy at 0K	-246.136601
Energy at 298.15K	-246.144968
HF Energy	-245.634111
Nuclear repulsion energy	176.998584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3704	3524	30.06
2	A	3566	3392	37.29
3	A	3188	3033	19.30
4	A	3176	3021	18.70
5	A	3125	2972	10.76
6	A	3103	2952	15.69
7	A	3085	2935	14.70
8	A	1735	1651	192.48
9	A	1698	1615	25.56
10	A	1599	1521	5.19
11	A	1598	1520	7.33
12	A	1570	1493	8.79
13	A	1500	1427	12.19
14	A	1408	1339	43.91
15	A	1353	1287	0.01
16	A	1318	1254	159.37
17	A	1161	1104	0.09
18	A	1146	1090	3.13
19	A	1076	1024	8.29
20	A	1018	968	1.16
21	A	862	820	14.46
22	A	774	737	4.28
23	A	648	617	40.74
24	A	611	581	4.05
25	A	522	496	40.98
26	A	460	437	4.87
27	A	392	373	261.10
28	A	268	255	10.11
29	A	191	182	0.01
30	A	45	43	1.26

Atom	x (Å)	y (Å)	z (Å)
H1	2.623	0.017	-0.001
H2	1.830	-1.536	0.000
N3	1.769	-0.527	-0.000
O4	0.467	1.387	0.000
C5	0.560	0.139	0.000
H6	-0.618	-1.439	-0.885
H7	-0.618	-1.438	0.886
C8	-0.667	-0.792	0.000
H9	-2.843	-0.631	-0.002
H10	-2.010	0.674	0.883
H11	-2.008	0.676	-0.882
C12	-1.972	0.032	-0.000

	H1	H2	N3	O4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.7431	1.0126	2.5546	2.0662	3.6612	3.6616	3.3870	5.5039	4.7612	4.7595	4.5943
H2	1.7431		1.0103	3.2256	2.1020	2.6054	2.6059	2.6057	4.7604	4.5176	4.5169	4.1126
N3	1.0126	1.0103		2.3154	1.3802	2.7039	2.7043	2.4496	4.6130	4.0619	4.0606	3.7819
O4	2.5546	3.2256	2.3154		1.2520	3.1541	3.1537	2.4558	3.8763	2.7240	2.7219	2.7898
C5	2.0662	2.1020	1.3802	1.2520		2.1588	2.1588	1.5394	3.4889	2.7692	2.7678	2.5338
H6	3.6612	2.6054	2.7039	3.1541	2.1588		1.7703	1.0977	2.5266	3.0865	2.5305	2.1858
H7	3.6616	2.6059	2.7043	3.1537	2.1588	1.7703		1.0977	2.5276	2.5292	3.0864	2.1857
C8	3.3870	2.6057	2.4496	2.4558	1.5394	1.0977	1.0977		2.1824	2.1749	2.1749	1.5430
H9	5.5039	4.7604	4.6130	3.8763	3.4889	2.5266	2.5276	2.1824		1.7831	1.7831	1.0946
H10	4.7612	4.5176	4.0619	2.7240	2.7692	3.0865	2.5292	2.1749	1.7831		1.7656	1.0928
H11	4.7595	4.5169	4.0606	2.7219	2.7678	2.5305	3.0864	2.1749	1.7831	1.7656		1.0928
C12	4.5943	4.1126	3.7819	2.7898	2.5338	2.1858	2.1857	1.5430	1.0946	1.0928	1.0928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	119.008	H1	N3	C5	118.628
H2	N3	C5	122.363	N3	C5	O4	123.131
N3	C5	C8	113.965	O4	C5	C8	122.903
C5	C8	H6	108.746	C5	C8	H7	108.741
C5	C8	C12	110.582	H6	C8	H7	107.490
H6	C8	C12	110.602	H7	C8	C12	110.594
C8	C12	H9	110.523	C8	C12	H10	110.036
C8	C12	H11	110.035	H9	C12	H10	109.208
H9	C12	H11	109.213	H10	C12	H11	107.773

All results from a given calculation for C₃H₇NO (Propanamide)

using model chemistry: MP2/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C3H7NO (Propanamide)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for C₃H₇NO (Propanamide)