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	hartrees
Energy at 0K	-247.394505
Energy at 298.15K	-247.400121
Nuclear repulsion energy	163.060409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3728	3605	42.03
2	A	3595	3477	47.72
3	A	3233	3127	1.47
4	A	3149	3045	10.07
5	A	3137	3034	8.13
6	A	1758	1700	271.06
7	A	1686	1630	45.97
8	A	1620	1567	113.52
9	A	1443	1396	79.78
10	A	1354	1309	42.38
11	A	1288	1245	120.49
12	A	1113	1076	3.10
13	A	1038	1003	5.58
14	A	1019	985	46.94
15	A	1012	979	1.62
16	A	822	794	18.39
17	A	812	785	5.59
18	A	617	597	10.03
19	A	614	594	2.22
20	A	470	455	8.92
21	A	468	452	5.20
22	A	276	267	7.26
23	A	198	191	169.08
24	A	114	110	16.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.802	-0.643	-0.001
C2	-0.476	0.130	-0.000
N3	-1.604	-0.640	0.000
O4	-0.523	1.346	-0.000
C5	1.976	-0.025	0.000
H6	0.744	-1.726	-0.002
H7	-2.499	-0.180	0.001
H8	-1.573	-1.643	0.001
H9	2.021	1.056	0.001
H10	2.907	-0.574	0.000

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4938	2.4060	2.3901	1.3267	1.0845	3.3330	2.5771	2.0906	2.1064
C2	1.4938		1.3653	1.2171	2.4575	2.2206	2.0460	2.0847	2.6630	3.4562
N3	2.4060	1.3653		2.2608	3.6325	2.5863	1.0058	1.0037	4.0015	4.5117
O4	2.3901	1.2171	2.2608		2.8511	3.3228	2.4963	3.1680	2.5604	3.9318
C5	1.3267	2.4575	3.6325	2.8511		2.1004	4.4776	3.9005	1.0821	1.0811
H6	1.0845	2.2206	2.5863	3.3228	2.1004		3.5915	2.3178	3.0609	2.4511
H7	3.3330	2.0460	1.0058	2.4963	4.4776	3.5915		1.7311	4.6852	5.4204
H8	2.5771	2.0847	1.0037	3.1680	3.9005	2.3178	1.7311		4.4942	4.6059
H9	2.0906	2.6630	4.0015	2.5604	1.0821	3.0609	4.6852	4.4942		1.8562
H10	2.1064	3.4562	4.5117	3.9318	1.0811	2.4511	5.4204	4.6059	1.8562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.531	C1	C2	O4	123.368
C1	C5	H9	120.086	C1	C5	H10	121.713
C2	C1	C5	121.106	C2	C1	H6	118.049
C2	N3	H7	118.499	C2	N3	H8	122.549
N3	C2	O4	122.101	C5	C1	H6	120.846
H7	N3	H8	118.951	H9	C5	H10	118.201

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: B3LYP/6-311+G(3df,2p)

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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Number	Element	Mulliken
1	C	-0.058
2	C	0.895
3	N	-0.691
4	O	-0.781
5	C	-0.212
6	H	0.114
7	H	0.196
8	H	0.205
9	H	0.174
10	H	0.158

	x	y	z	Total
	-0.313	-3.634	0.003	3.647
CHELPG
AIM
ESP

	x	y	z
x	10.084	0.731	0.001
y	0.731	7.641	0.000
z	0.001	0.000	5.086

<r²>	115.665
(<r²>)^1/2	10.755

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)