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	hartrees
Energy at 0K	-247.022198
Energy at 298.15K	-247.027626
Nuclear repulsion energy	161.442947

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3661	3620	38.94
2	A	3519	3478	38.05
3	A	3194	3158	1.94
4	A	3099	3064	9.49
5	A	3086	3051	12.75
6	A	1712	1692	254.74
7	A	1643	1624	39.47
8	A	1569	1552	116.85
9	A	1391	1376	84.10
10	A	1317	1302	45.47
11	A	1247	1233	79.21
12	A	1075	1062	1.69
13	A	998	987	4.40
14	A	976	965	41.82
15	A	949	938	15.60
16	A	796	787	5.26
17	A	784	775	14.53
18	A	599	592	2.08
19	A	592	585	7.22
20	A	451	446	4.84
21	A	451	446	13.65
22	A	264	261	7.45
23	A	173	171	179.55
24	A	113	112	29.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.803	-0.653	-0.000
C2	-0.477	0.127	-0.000
N3	-1.618	-0.643	0.000
O4	-0.522	1.364	-0.000
C5	1.992	-0.026	0.000
H6	0.747	-1.749	-0.001
H7	-2.518	-0.171	0.001
H8	-1.597	-1.658	0.001
H9	2.028	1.068	0.001
H10	2.934	-0.580	0.000

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4993	2.4211	2.4134	1.3443	1.0975	3.3557	2.6021	2.1124	2.1324
C2	1.4993		1.3764	1.2377	2.4741	2.2400	2.0621	2.1073	2.6758	3.4841
N3	2.4211	1.3764		2.2867	3.6625	2.6103	1.0164	1.0152	4.0273	4.5527
O4	2.4134	1.2377	2.2867		2.8729	3.3616	2.5172	3.2075	2.5668	3.9657
C5	1.3443	2.4741	3.6625	2.8729		2.1262	4.5122	3.9429	1.0949	1.0931
H6	1.0975	2.2400	2.6103	3.3616	2.1262		3.6260	2.3453	3.0950	2.4804
H7	3.3557	2.0621	1.0164	2.5172	4.5122	3.6260		1.7496	4.7110	5.4674
H8	2.6021	2.1073	1.0152	3.2075	3.9429	2.3453	1.7496		4.5355	4.6578
H9	2.1124	2.6758	4.0273	2.5668	1.0949	3.0950	4.7110	4.5355		1.8815
H10	2.1324	3.4841	4.5527	3.9657	1.0931	2.4804	5.4674	4.6578	1.8815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.618	C1	C2	O4	123.436
C1	C5	H9	119.656	C1	C5	H10	121.726
C2	C1	C5	120.840	C2	C1	H6	118.401
C2	N3	H7	118.252	C2	N3	H8	122.846
N3	C2	O4	121.945	C5	C1	H6	120.759
H7	N3	H8	118.902	H9	C5	H10	118.618

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: PBEPBE/6-31+G**

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	0.204
2	C	0.189
3	N	-0.524
4	O	-0.505
5	C	-0.462
6	H	0.132
7	H	0.324
8	H	0.298
9	H	0.189
10	H	0.157

	x	y	z	Total
	-0.392	-3.675	0.004	3.696
CHELPG
AIM
ESP

	x	y	z
x	10.256	0.879	0.001
y	0.879	7.731	0.001
z	0.001	0.001	4.678

<r²>	117.410
(<r²>)^1/2	10.836

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: PBEPBE/6-31+G**

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)