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	hartrees
Energy at 0K	-247.207311
Energy at 298.15K	-247.212887
HF Energy	-247.207311
Nuclear repulsion energy	161.016969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3586	3557	18.25
2	A	3464	3436	19.98
3	A	3178	3153	5.67
4	A	3094	3069	8.74
5	A	3071	3046	19.65
6	A	1718	1704	170.92
7	A	1643	1629	34.38
8	A	1597	1584	83.75
9	A	1416	1405	55.91
10	A	1324	1313	29.73
11	A	1256	1246	111.07
12	A	1087	1078	7.09
13	A	1014	1006	5.41
14	A	991	983	23.44
15	A	941	934	13.38
16	A	791	785	8.02
17	A	780	774	18.69
18	A	605	600	21.06
19	A	586	581	4.57
20	A	458	454	9.83
21	A	450	446	11.93
22	A	271	269	85.82
23	A	268	266	141.71
24	A	123	122	8.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.809	-0.654	-0.011
C2	-0.483	0.136	-0.002
N3	-1.625	-0.649	-0.016
O4	-0.524	1.367	-0.003
C5	2.000	-0.030	0.010
H6	0.748	-1.748	-0.036
H7	-2.525	-0.182	0.061
H8	-1.599	-1.659	0.100
H9	2.047	1.062	0.031
H10	2.944	-0.580	0.005

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.5142	2.4335	2.4209	1.3446	1.0968	3.3680	2.6113	2.1164	2.1365
C2	1.5142		1.3851	1.2326	2.4887	2.2511	2.0673	2.1153	2.6949	3.5015
N3	2.4335	1.3851		2.2976	3.6770	2.6151	1.0176	1.0166	4.0512	4.5692
O4	2.4209	1.2326	2.2976		2.8847	3.3657	2.5317	3.2132	2.5891	3.9777
C5	1.3446	2.4887	3.6770	2.8847		2.1265	4.5278	3.9511	1.0935	1.0932
H6	1.0968	2.2511	2.6151	3.3657	2.1265		3.6303	2.3525	3.0971	2.4874
H7	3.3680	2.0673	1.0176	2.5317	4.5278	3.6303		1.7441	4.7385	5.4841
H8	2.6113	2.1153	1.0166	3.2132	3.9511	2.3525	1.7441		4.5498	4.6699
H9	2.1164	2.6949	4.0512	2.5891	1.0935	3.0971	4.7385	4.5498		1.8722
H10	2.1365	3.5015	4.5692	3.9777	1.0932	2.4874	5.4841	4.6699	1.8722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.064	C1	C2	O4	123.296
C1	C5	H9	120.126	C1	C5	H10	122.092
C2	C1	C5	120.933	C2	C1	H6	118.243
C2	N3	H7	117.910	C2	N3	H8	122.725
N3	C2	O4	122.632	C5	C1	H6	120.825
H7	N3	H8	118.051	H9	C5	H10	117.782

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: BLYP/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	-0.090
2	C	0.526
3	N	-0.691
4	O	-0.482
5	C	-0.277
6	H	0.098
7	H	0.318
8	H	0.309
9	H	0.160
10	H	0.130

	x	y	z	Total
	-0.435	-3.302	0.562	3.378
CHELPG
AIM
ESP

	x	y	z
x	9.159	0.771	0.004
y	0.771	6.657	0.020
z	0.004	0.020	2.500

<r²>	117.327
(<r²>)^1/2	10.832

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)