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	hartrees
Energy at 0K	-246.046619
Energy at 298.15K	-246.052292
Nuclear repulsion energy	163.798269

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3644	3606	48.01
2	A	3506	3470	49.05
3	A	3174	3141	0.13
4	A	3077	3045	11.97
5	A	3061	3029	2.80
6	A	1775	1757	221.77
7	A	1671	1654	23.69
8	A	1543	1527	175.77
9	A	1378	1363	118.77
10	A	1314	1300	3.60
11	A	1236	1223	23.18
12	A	1079	1068	0.60
13	A	989	979	2.87
14	A	978	968	40.83
15	A	950	940	10.44
16	A	807	799	6.15
17	A	805	797	27.83
18	A	622	616	3.41
19	A	601	595	7.79
20	A	464	459	15.86
21	A	451	446	5.52
22	A	275	272	189.92
23	A	273	270	8.49
24	A	132	130	8.20

Atom	x (Å)	y (Å)	z (Å)
C1	-0.784	-0.667	-0.000
C2	0.468	0.125	0.000
N3	1.602	-0.616	0.000
O4	0.479	1.344	-0.000
C5	-1.946	-0.030	0.000
H6	-0.725	-1.763	-0.000
H7	2.492	-0.126	0.000
H8	1.587	-1.631	-0.000
H9	-1.925	1.066	0.000
H10	-2.905	-0.551	0.000

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4814	2.3863	2.3749	1.3257	1.0967	3.3206	2.5591	2.0753	2.1247
C2	1.4814		1.3553	1.2189	2.4188	2.2329	2.0402	2.0827	2.5708	3.4402
N3	2.3863	1.3553		2.2595	3.5963	2.5938	1.0166	1.0148	3.9075	4.5078
O4	2.3749	1.2189	2.2595		2.7872	3.3317	2.4930	3.1749	2.4196	3.8787
C5	1.3257	2.4188	3.5963	2.7872		2.1198	4.4395	3.8789	1.0963	1.0917
H6	1.0967	2.2329	2.5938	3.3317	2.1198		3.6096	2.3155	3.0727	2.4944
H7	3.3206	2.0402	1.0166	2.4930	4.4395	3.6096		1.7566	4.5751	5.4144
H8	2.5591	2.0827	1.0148	3.1749	3.8789	2.3155	1.7566		4.4280	4.6202
H9	2.0753	2.5708	3.9075	2.4196	1.0963	3.0727	4.5751	4.4280		1.8914
H10	2.1247	3.4402	4.5078	3.8787	1.0917	2.4944	5.4144	4.6202	1.8914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.470	C1	C2	O4	122.870
C1	C5	H9	117.621	C1	C5	H10	122.741
C2	C1	C5	118.912	C2	C1	H6	119.269
C2	N3	H7	117.964	C2	N3	H8	122.331
N3	C2	O4	122.659	C5	C1	H6	121.819
H7	N3	H8	119.706	H9	C5	H10	119.638

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: SVWN/6-311G**

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	-0.253
2	C	0.328
3	N	-0.473
4	O	-0.321
5	C	-0.210
6	H	0.129
7	H	0.251
8	H	0.244
9	H	0.162
10	H	0.144

	x	y	z	Total
	0.749	-3.530	0.000	3.609
CHELPG
AIM
ESP

	x	y	z
x	9.342	-0.847	0.000
y	-0.847	6.852	0.000
z	0.000	0.000	3.226

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: SVWN/6-311G**

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)