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	hartrees
Energy at 0K	-244.450268
Energy at 298.15K	-244.456623
Nuclear repulsion energy	164.076943

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3912	3531	51.70
2	A	3785	3416	60.61
3	A	3421	3088	2.84
4	A	3362	3034	10.06
5	A	3332	3008	5.32
6	A	1905	1720	213.94
7	A	1836	1658	63.31
8	A	1813	1637	129.30
9	A	1595	1439	76.05
10	A	1485	1340	39.76
11	A	1417	1279	231.09
12	A	1230	1110	9.12
13	A	1197	1080	17.22
14	A	1167	1053	11.48
15	A	1142	1031	72.33
16	A	951	858	126.46
17	A	861	777	7.03
18	A	701	632	147.32
19	A	684	617	11.46
20	A	572	516	185.76
21	A	522	471	6.81
22	A	505	455	35.58
23	A	313	282	10.80
24	A	141	127	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
1	C	-0.371	-0.435
2	C	0.871	1.054
3	N	-0.945	-1.138
4	O	-0.650	-0.671
5	C	-0.347	-0.206
6	H	0.230	0.182
7	H	0.363	0.456
8	H	0.352	0.438
9	H	0.268	0.162
10	H	0.228	0.157

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

	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)