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	hartrees
Energy at 0K	-247.409574
Energy at 298.15K	-247.417880
Nuclear repulsion energy	176.274576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3759	3597	33.63
2	A	3613	3457	42.28
3	A	3176	3039	23.75
4	A	3160	3023	24.43
5	A	3091	2957	16.71
6	A	3076	2943	22.19
7	A	3049	2917	21.19
8	A	1723	1648	216.40
9	A	1678	1605	58.72
10	A	1573	1505	8.97
11	A	1567	1500	5.04
12	A	1555	1488	7.52
13	A	1490	1426	10.75
14	A	1437	1375	68.38
15	A	1338	1280	135.36
16	A	1333	1276	0.05
17	A	1154	1104	0.02
18	A	1148	1099	1.26
19	A	1085	1038	5.58
20	A	1044	999	2.97
21	A	850	813	10.41
22	A	803	768	2.37
23	A	629	601	60.46
24	A	606	580	6.25
25	A	513	491	67.34
26	A	453	433	4.41
27	A	387	371	259.46
28	A	266	254	9.67
29	A	203	194	0.17
30	A	15	15	1.54

Atom	x (Å)	y (Å)	z (Å)
H1	2.627	0.009	0.001
H2	1.844	-1.545	0.002
N3	1.776	-0.538	0.001
O4	0.494	1.389	-0.001
C5	0.563	0.126	-0.000
H6	-0.635	-1.428	-0.888
H7	-0.634	-1.434	0.879
C8	-0.679	-0.773	-0.002
H9	-2.854	-0.644	-0.001
H10	-2.047	0.676	0.889
H11	-2.048	0.684	-0.881
C12	-1.990	0.036	0.002

	H1	H2	N3	O4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.7392	1.0111	2.5406	2.0677	3.6737	3.6720	3.3968	5.5192	4.8043	4.8045	4.6174
H2	1.7392		1.0093	3.2297	2.1058	2.6371	2.6312	2.6385	4.7836	4.5678	4.5708	4.1477
N3	1.0111	1.0093		2.3144	1.3832	2.7199	2.7169	2.4661	4.6310	4.1085	4.1097	3.8099
O4	2.5406	3.2297	2.3144		1.2650	3.1623	3.1650	2.4599	3.9168	2.7855	2.7807	2.8294
C5	2.0677	2.1058	1.3832	1.2650		2.1536	2.1538	1.5327	3.5019	2.8116	2.8104	2.5546
H6	3.6737	2.6371	2.7199	3.1623	2.1536		1.7673	1.1027	2.5146	3.0955	2.5406	2.1842
H7	3.6720	2.6312	2.7169	3.1650	2.1538	1.7673		1.1026	2.5154	2.5400	3.0954	2.1842
C8	3.3968	2.6385	2.4661	2.4599	1.5327	1.1027	1.1026		2.1788	2.1837	2.1835	1.5410
H9	5.5192	4.7836	4.6310	3.9168	3.5019	2.5146	2.5154	2.1788		1.7851	1.7851	1.0985
H10	4.8043	4.5678	4.1085	2.7855	2.8116	3.0955	2.5400	2.1837	1.7851		1.7703	1.0964
H11	4.8045	4.5708	4.1097	2.7807	2.8104	2.5406	3.0954	2.1835	1.7851	1.7703		1.0964
C12	4.6174	4.1477	3.8099	2.8294	2.5546	2.1842	2.1842	1.5410	1.0985	1.0964	1.0964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	118.821	H1	N3	C5	118.620
H2	N3	C5	122.559	N3	C5	O4	121.775
N3	C5	C8	115.406	O4	C5	C8	122.819
C5	C8	H6	108.511	C5	C8	H7	108.523
C5	C8	C12	112.431	H6	C8	H7	106.525
H6	C8	C12	110.324	H7	C8	C12	110.326
C8	C12	H9	110.140	C8	C12	H10	110.649
C8	C12	H11	110.643	H9	C12	H10	108.830
H9	C12	H11	108.840	H10	C12	H11	107.672

All results from a given calculation for C₃H₇NO (Propanamide)

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

All results from a given calculation for C₃H₇NO (Propanamide)