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	hartrees
Energy at 0K	-247.225189
Energy at 298.15K	-247.231215
Nuclear repulsion energy	161.686973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3748	3606	27.68
2	A	3610	3473	39.81
3	A	3275	3151	5.21
4	A	3184	3063	11.60
5	A	3169	3048	11.32
6	A	1733	1668	119.29
7	A	1695	1631	126.37
8	A	1663	1599	91.96
9	A	1481	1424	82.71
10	A	1388	1335	62.67
11	A	1332	1282	95.29
12	A	1128	1086	4.74
13	A	1075	1034	4.83
14	A	1036	997	60.39
15	A	1028	989	0.00
16	A	834	802	66.66
17	A	831	800	4.53
18	A	652	627	117.38
19	A	623	599	8.65
20	A	519	499	194.43
21	A	476	458	5.21
22	A	465	447	22.56
23	A	281	270	8.57
24	A	129	124	5.54

Atom	x (Å)	y (Å)	z (Å)
C1	-0.800	-0.654	-0.000
C2	0.474	0.118	-0.000
N3	1.618	-0.640	0.000
O4	0.513	1.369	-0.000
C5	-1.984	-0.031	0.000
H6	-0.737	-1.740	-0.001
H7	2.507	-0.164	0.000
H8	1.606	-1.647	0.001
H9	-2.026	1.054	0.001
H10	-2.922	-0.576	0.000

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4896	2.4185	2.4124	1.3379	1.0883	3.3436	2.6027	2.1025	2.1233
C2	1.4896		1.3724	1.2523	2.4626	2.2181	2.0530	2.0964	2.6698	3.4661
N3	2.4185	1.3724		2.2930	3.6536	2.6001	1.0083	1.0070	4.0190	4.5407
O4	2.4124	1.2523	2.2930		2.8636	3.3520	2.5156	3.2079	2.5594	3.9482
C5	1.3379	2.4626	3.6536	2.8636		2.1158	4.4936	3.9368	1.0859	1.0847
H6	1.0883	2.2181	2.6001	3.3520	2.1158		3.6073	2.3450	3.0774	2.4755
H7	3.3436	2.0530	1.0083	2.5156	4.4936	3.6073		1.7350	4.6946	5.4451
H8	2.6027	2.0964	1.0070	3.2079	3.9368	2.3450	1.7350		4.5262	4.6527
H9	2.1025	2.6698	4.0190	2.5594	1.0859	3.0774	4.6946	4.5262		1.8601
H10	2.1233	3.4661	4.5407	3.9482	1.0847	2.4755	5.4451	4.6527	1.8601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.289	C1	C2	O4	123.018
C1	C5	H9	119.969	C1	C5	H10	122.087
C2	C1	C5	121.050	C2	C1	H6	117.896
C2	N3	H7	118.358	C2	N3	H8	122.797
N3	C2	O4	121.693	C5	C1	H6	121.054
H7	N3	H8	118.845	H9	C5	H10	117.944

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.094
2	C	0.486
3	N	-0.736
4	O	-0.473
5	C	-0.272
6	H	0.123
7	H	0.333
8	H	0.322
9	H	0.176
10	H	0.136

	x	y	z	Total
	0.377	-3.822	0.002	3.841
CHELPG
AIM
ESP

	x	y	z
x	8.512	-0.816	-0.001
y	-0.816	6.404	0.000
z	-0.001	0.000	2.094

<r²>	116.461
(<r²>)^1/2	10.792

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)