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	hartrees
Energy at 0K	-45.757176
Energy at 298.15K	-45.763110
Nuclear repulsion energy	86.218403

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3752	3633	26.58
2	A	3597	3483	40.94
3	A	3267	3163	13.74
4	A	3175	3075	21.68
5	A	3153	3053	10.49
6	A	1695	1641	75.70
7	A	1660	1608	173.47
8	A	1618	1567	123.54
9	A	1444	1399	102.22
10	A	1359	1316	58.96
11	A	1294	1253	111.03
12	A	1099	1064	4.41
13	A	1047	1014	7.18
14	A	1037	1004	95.27
15	A	1033	1001	11.91
16	A	818	792	3.43
17	A	818	792	46.61
18	A	625	606	97.36
19	A	601	582	6.80
20	A	519	502	230.75
21	A	464	449	11.24
22	A	455	441	5.51
23	A	269	260	8.18
24	A	129	125	5.66

Atom	x (Å)	y (Å)	z (Å)
C1	-0.813	-0.673	-0.000
C2	0.462	0.140	-0.000
N3	1.639	-0.610	0.000
O4	0.490	1.409	-0.000
C5	-2.029	-0.050	0.000
H6	-0.732	-1.765	-0.000
H7	2.525	-0.110	0.000
H8	1.642	-1.625	0.000
H9	-2.083	1.043	0.000
H10	-2.965	-0.618	-0.000

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.5122	2.4535	2.4557	1.3663	1.0953	3.3850	2.6335	2.1339	2.1519
C2	1.5122		1.3956	1.2694	2.4986	2.2479	2.0776	2.1226	2.7003	3.5095
N3	2.4535	1.3956		2.3231	3.7112	2.6376	1.0164	1.0150	4.0724	4.6039
O4	2.4557	1.2694	2.3231		2.9108	3.4007	2.5395	3.2450	2.5984	4.0052
C5	1.3663	2.4986	3.7112	2.9108		2.1507	4.5544	3.9949	1.0935	1.0946
H6	1.0953	2.2479	2.6376	3.4007	2.1507		3.6527	2.3779	3.1156	2.5099
H7	3.3850	2.0776	1.0164	2.5395	4.5544	3.6527		1.7528	4.7495	5.5126
H8	2.6335	2.1226	1.0150	3.2450	3.9949	2.3779	1.7528		4.5813	4.7152
H9	2.1339	2.7003	4.0724	2.5984	1.0935	3.1156	4.7495	4.5813		1.8804
H10	2.1519	3.5095	4.6039	4.0052	1.0946	2.5099	5.5126	4.7152	1.8804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.022	C1	C2	O4	123.740
C1	C5	H9	119.931	C1	C5	H10	121.568
C2	C1	C5	120.376	C2	C1	H6	118.224
C2	N3	H7	118.088	C2	N3	H8	122.631
N3	C2	O4	121.238	C5	C1	H6	121.400
H7	N3	H8	119.281	H9	C5	H10	118.500

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: B3LYP/CEP-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	0.064
2	C	-0.292
3	N	-0.389
4	O	-0.126
5	C	-0.596
6	H	0.271
7	H	0.317
8	H	0.303
9	H	0.259
10	H	0.190

	x	y	z	Total
	0.252	-4.177	0.001	4.185
CHELPG
AIM
ESP

	x	y	z
x	8.980	-0.911	-0.000
y	-0.911	6.503	-0.002
z	-0.000	-0.002	2.933

<r²>	98.079
(<r²>)^1/2	9.903

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)