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	hartrees
Energy at 0K	-45.131791
Energy at 298.15K	-45.137286
HF Energy	-44.638311
Nuclear repulsion energy	85.819561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3718	3629	27.31
2	A	3556	3470	47.82
3	A	3220	3143	10.13
4	A	3121	3046	18.20
5	A	3099	3025	9.50
6	A	1707	1666	175.77
7	A	1643	1603	12.55
8	A	1619	1580	132.55
9	A	1461	1426	70.33
10	A	1347	1314	58.14
11	A	1302	1271	134.21
12	A	1104	1078	6.00
13	A	1061	1036	9.81
14	A	973	950	44.87
15	A	860	839	33.24
16	A	803	784	2.59
17	A	719	702	12.87
18	A	595	580	7.28
19	A	573	559	29.91
20	A	454	443	4.87
21	A	443	433	74.57
22	A	299	291	251.28
23	A	267	261	7.80
24	A	55	53	3.70

Atom	x (Å)	y (Å)	z (Å)
C1	-0.820	-0.663	-0.000
C2	0.484	0.121	-0.000
N3	1.645	-0.663	-0.000
O4	0.540	1.400	-0.000
C5	-2.031	-0.026	0.000
H6	-0.757	-1.757	-0.000
H7	2.545	-0.193	0.000
H8	1.617	-1.675	0.001
H9	-2.078	1.066	0.000
H10	-2.967	-0.587	-0.000

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.5215	2.4649	2.4706	1.3680	1.0962	3.3972	2.6389	2.1382	2.1490
C2	1.5215		1.4009	1.2800	2.5190	2.2514	2.0844	2.1238	2.7309	3.5235
N3	2.4649	1.4009		2.3403	3.7305	2.6396	1.0149	1.0127	4.1050	4.6132
O4	2.4706	1.2800	2.3403		2.9395	3.4131	2.5606	3.2584	2.6393	4.0311
C5	1.3680	2.5190	3.7305	2.9395		2.1493	4.5783	4.0032	1.0929	1.0920
H6	1.0962	2.2514	2.6396	3.4131	2.1493		3.6534	2.3755	3.1169	2.5011
H7	3.3972	2.0844	1.0149	2.5606	4.5783	3.6534		1.7485	4.7912	5.5262
H8	2.6389	2.1238	1.0127	3.2584	4.0032	2.3755	1.7485		4.6009	4.7119
H9	2.1382	2.7309	4.1050	2.6393	1.0929	3.1169	4.7912	4.6009		1.8770
H10	2.1490	3.5235	4.6132	4.0311	1.0920	2.5011	5.5262	4.7119	1.8770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.950	C1	C2	O4	123.514
C1	C5	H9	120.236	C1	C5	H10	121.338
C2	C1	C5	121.239	C2	C1	H6	117.728
C2	N3	H7	118.388	C2	N3	H8	122.449
N3	C2	O4	121.536	C5	C1	H6	121.032
H7	N3	H8	119.163	H9	C5	H10	118.426

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: MP2/CEP-121G

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 CH2CHCONH2 (Acrylamide)

using model chemistry: MP2/CEP-121G

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)