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	hartrees
Energy at 0K	-244.450268
Energy at 298.15K	-244.456634
Nuclear repulsion energy	164.076943

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3912	3542	51.70
2	A	3785	3427	60.61
3	A	3421	3098	2.84
4	A	3362	3044	10.06
5	A	3332	3018	5.32
6	A	1905	1726	213.94
7	A	1836	1663	63.31
8	A	1813	1642	129.30
9	A	1595	1444	76.05
10	A	1485	1345	39.76
11	A	1417	1283	231.09
12	A	1230	1113	9.12
13	A	1197	1084	17.22
14	A	1167	1057	11.48
15	A	1142	1034	72.33
16	A	951	861	126.46
17	A	861	780	7.03
18	A	701	635	147.32
19	A	684	619	11.46
20	A	572	518	185.76
21	A	522	473	6.81
22	A	505	457	35.58
23	A	313	283	10.80
24	A	141	128	7.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.793	-0.660	-0.000
C2	0.472	0.125	-0.000
N3	1.604	-0.621	0.000
O4	0.488	1.344	-0.000
C5	-1.949	-0.032	0.000
H6	-0.727	-1.730	-0.001
H7	2.484	-0.151	-0.000
H8	1.595	-1.615	0.001
H9	-1.976	1.040	0.000
H10	-2.885	-0.556	-0.000

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4892	2.3979	2.3784	1.3151	1.0724	3.3165	2.5723	2.0705	2.0938
C2	1.4892		1.3556	1.2193	2.4267	2.2087	2.0306	2.0709	2.6135	3.4253
N3	2.3979	1.3556		2.2602	3.6019	2.5812	0.9971	0.9943	3.9466	4.4893
O4	2.3784	1.2193	2.2602		2.7989	3.3053	2.4945	3.1598	2.4822	3.8708
C5	1.3151	2.4267	3.6019	2.7989		2.0921	4.4348	3.8815	1.0727	1.0719
H6	1.0724	2.2087	2.5812	3.3053	2.0921		3.5776	2.3243	3.0386	2.4567
H7	3.3165	2.0306	0.9971	2.4945	4.4348	3.5776		1.7126	4.6162	5.3838
H8	2.5723	2.0709	0.9943	3.1598	3.8815	2.3243	1.7126		4.4497	4.6030
H9	2.0705	2.6135	3.9466	2.4822	1.0727	3.0386	4.6162	4.4497		1.8366
H10	2.0938	3.4253	4.4893	3.8708	1.0719	2.4567	5.3838	4.6030	1.8366

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.817	C1	C2	O4	122.521
C1	C5	H9	119.910	C1	C5	H10	122.269
C2	C1	C5	119.712	C2	C1	H6	118.227
C2	N3	H7	118.532	C2	N3	H8	122.842
N3	C2	O4	122.661	C5	C1	H6	122.061
H7	N3	H8	118.625	H9	C5	H10	117.821

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: HF/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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Number	Element	Mulliken	CHELPG	ESP
1	C	-0.371	-0.435	-0.481
2	C	0.871	1.054	1.034
3	N	-0.945	-1.138	-1.127
4	O	-0.650	-0.671	-0.652
5	C	-0.347	-0.206	-0.232
6	H	0.230	0.182	0.211
7	H	0.363	0.456	0.456
8	H	0.352	0.438	0.438
9	H	0.268	0.162	0.177
10	H	0.228	0.157	0.175

	x	y	z	Total
	0.112	-3.739	0.001	3.740
CHELPG	0.088	-3.751	0.001	3.752
AIM
ESP	0.104	-3.735	0.001	3.737

	x	y	z
x	7.268	-0.816	-0.000
y	-0.816	5.560	0.000
z	-0.000	0.000	1.584

<r²>	113.719
(<r²>)^1/2	10.664

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: HF/3-21G

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)