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	hartrees
Energy at 0K	-44.644427
Energy at 298.15K	-44.650660
Nuclear repulsion energy	87.719708

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3975	3627	38.58
2	A	3816	3482	54.72
3	A	3410	3112	7.03
4	A	3331	3039	18.13
5	A	3293	3005	7.52
6	A	1826	1666	300.64
7	A	1808	1650	13.85
8	A	1776	1621	232.68
9	A	1569	1431	132.11
10	A	1461	1333	77.21
11	A	1410	1286	152.86
12	A	1205	1099	10.59
13	A	1166	1064	34.11
14	A	1157	1056	11.33
15	A	1104	1007	51.74
16	A	896	817	82.34
17	A	883	806	2.39
18	A	672	613	132.25
19	A	656	598	16.00
20	A	548	500	204.87
21	A	496	452	6.63
22	A	493	450	32.82
23	A	293	267	10.29
24	A	115	105	6.38

Atom	x (Å)	y (Å)	z (Å)
C1	-0.810	-0.656	-0.000
C2	0.462	0.136	-0.000
N3	1.621	-0.595	0.000
O4	0.481	1.378	-0.000
C5	-2.001	-0.049	0.000
H6	-0.726	-1.729	-0.001
H7	2.487	-0.108	0.000
H8	1.626	-1.587	0.001
H9	-2.067	1.024	0.001
H10	-2.917	-0.613	0.000

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4980	2.4314	2.4085	1.3367	1.0764	3.3418	2.6069	2.0984	2.1075
C2	1.4980		1.3707	1.2417	2.4693	2.2116	2.0398	2.0790	2.6799	3.4605
N3	2.4314	1.3707		2.2788	3.6626	2.6071	0.9937	0.9914	4.0276	4.5377
O4	2.4085	1.2417	2.2788		2.8623	3.3332	2.4963	3.1777	2.5717	3.9376
C5	1.3367	2.4693	3.6626	2.8623		2.1085	4.4879	3.9386	1.0755	1.0757
H6	1.0764	2.2116	2.6071	3.3332	2.1085		3.5994	2.3563	3.0623	2.4582
H7	3.3418	2.0398	0.9937	2.4963	4.4879	3.5994		1.7116	4.6922	5.4272
H8	2.6069	2.0790	0.9914	3.1777	3.9386	2.3563	1.7116		4.5220	4.6454
H9	2.0984	2.6799	4.0276	2.5717	1.0755	3.0623	4.6922	4.5220		1.8447
H10	2.1075	3.4605	4.5377	3.9376	1.0757	2.4582	5.4272	4.6454	1.8447

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.828	C1	C2	O4	122.797
C1	C5	H9	120.523	C1	C5	H10	121.389
C2	C1	C5	121.074	C2	C1	H6	117.497
C2	N3	H7	118.368	C2	N3	H8	122.504
N3	C2	O4	121.375	C5	C1	H6	121.429
H7	N3	H8	119.128	H9	C5	H10	118.089

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: HF/CEP-121G

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	-0.053
2	C	0.237
3	N	-0.665
4	O	-0.357
5	C	-0.391
6	H	0.170
7	H	0.359
8	H	0.347
9	H	0.202
10	H	0.152

	x	y	z	Total
	-0.088	-4.339	0.001	4.340
CHELPG
AIM
ESP

	x	y	z
x	8.248	-0.902	-0.001
y	-0.902	6.342	0.001
z	-0.001	0.001	3.198

<r²>	96.034
(<r²>)^1/2	9.800

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)