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	hartrees
Energy at 0K	-245.756327
Energy at 298.15K	-245.762586
Nuclear repulsion energy	162.756187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4006	3607	56.01
2	A	3852	3468	76.38
3	A	3464	3119	7.44
4	A	3386	3048	19.60
5	A	3352	3018	10.12
6	A	1850	1666	221.75
7	A	1823	1641	143.39
8	A	1794	1616	196.01
9	A	1590	1432	130.89
10	A	1478	1331	84.93
11	A	1425	1283	150.54
12	A	1214	1093	10.32
13	A	1186	1068	34.65
14	A	1168	1052	10.19
15	A	1116	1005	54.40
16	A	912	821	106.78
17	A	890	801	2.72
18	A	693	624	192.65
19	A	665	598	15.13
20	A	572	515	182.48
21	A	503	453	6.47
22	A	500	451	18.73
23	A	297	268	10.28
24	A	123	110	6.74

Atom	x (Å)	y (Å)	z (Å)
C1	-0.802	-0.649	-0.000
C2	0.476	0.119	-0.000
N3	1.615	-0.633	0.000
O4	0.515	1.352	-0.000
C5	-1.981	-0.027	0.000
H6	-0.738	-1.721	-0.001
H7	2.493	-0.166	0.000
H8	1.598	-1.625	0.001
H9	-2.033	1.045	0.001
H10	-2.904	-0.575	0.000

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4907	2.4174	2.3956	1.3322	1.0738	3.3305	2.5911	2.0930	2.1026
C2	1.4907		1.3650	1.2344	2.4608	2.2037	2.0373	2.0734	2.6738	3.4498
N3	2.4174	1.3650		2.2701	3.6464	2.5922	0.9945	0.9918	4.0150	4.5191
O4	2.3956	1.2344	2.2701		2.8514	3.3186	2.4940	3.1682	2.5659	3.9242
C5	1.3322	2.4608	3.6464	2.8514		2.1004	4.4759	3.9190	1.0730	1.0732
H6	1.0738	2.2037	2.5922	3.3186	2.1004		3.5856	2.3379	3.0532	2.4500
H7	3.3305	2.0373	0.9945	2.4940	4.4759	3.5856		1.7115	4.6849	5.4122
H8	2.5911	2.0734	0.9918	3.1682	3.9190	2.3379	1.7115		4.5063	4.6224
H9	2.0930	2.6738	4.0150	2.5659	1.0730	3.0532	4.6849	4.5063		1.8387
H10	2.1026	3.4498	4.5191	3.9242	1.0732	2.4500	5.4122	4.6224	1.8387

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.599	C1	C2	O4	122.790
C1	C5	H9	120.581	C1	C5	H10	121.512
C2	C1	C5	121.214	C2	C1	H6	117.548
C2	N3	H7	118.570	C2	N3	H8	122.429
N3	C2	O4	121.611	C5	C1	H6	121.238
H7	N3	H8	119.001	H9	C5	H10	117.907

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: HF/SDD

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	-0.201
2	C	0.509
3	N	-0.838
4	O	-0.454
5	C	-0.385
6	H	0.186
7	H	0.388
8	H	0.363
9	H	0.233
10	H	0.199

	x	y	z	Total
	-0.171	-4.326	0.003	4.330
CHELPG
AIM
ESP

	x	y	z
x	7.887	-0.936	-0.001
y	-0.936	6.058	0.001
z	-0.001	0.001	2.601

<r²>	116.115
(<r²>)^1/2	10.776

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)