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	hartrees
Energy at 0K	-243.946070
Energy at 298.15K	-243.951248
Nuclear repulsion energy	156.113877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3622	3351	1.30
2	A	3436	3179	0.15
3	A	3409	3154	1.98
4	A	3328	3079	1.31
5	A	3283	3037	12.57
6	A	1760	1628	31.28
7	A	1718	1590	7.82
8	A	1687	1561	17.77
9	A	1491	1379	15.05
10	A	1360	1258	2.26
11	A	1246	1153	74.55
12	A	1102	1020	22.46
13	A	1056	977	9.58
14	A	1051	972	14.62
15	A	957	885	13.75
16	A	789	730	20.16
17	A	728	674	18.37
18	A	638	590	162.41
19	A	534	494	55.19
20	A	460	425	26.66
21	A	421	390	13.03
22	A	366	339	33.17
23	A	229	212	0.91
24	A	105	98	1.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.840	-0.653	-0.027
C2	-0.479	0.156	0.004
N3	-1.671	-0.723	-0.096
O4	-0.564	1.426	-0.003
C5	2.046	-0.039	0.021
H6	0.762	-1.756	-0.090
H7	-2.539	-0.217	0.251
H8	-1.559	-1.622	0.460
H9	2.111	1.064	0.080
H10	2.998	-0.599	0.001

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.5472	2.5131	2.5085	1.3536	1.1084	3.4179	2.6325	2.1387	2.1591
C2	1.5472		1.4852	1.2726	2.5320	2.2816	2.1078	2.1298	2.7456	3.5580
N3	2.5131	1.4852		2.4194	3.7811	2.6431	1.0629	1.0626	4.1873	4.6721
O4	2.5085	1.2726	2.4194		2.9931	3.4486	2.5807	3.2391	2.7014	4.0977
C5	1.3536	2.5320	3.7811	2.9931		2.1471	4.5934	3.9609	1.1065	1.1050
H6	1.1084	2.2816	2.6431	3.4486	2.1471		3.6578	2.3887	3.1312	2.5200
H7	3.4179	2.1078	1.0629	2.5807	4.5934	3.6578		1.7258	4.8261	5.5556
H8	2.6325	2.1298	1.0626	3.2391	3.9609	2.3887	1.7258		4.5637	4.6929
H9	2.1387	2.7456	4.1873	2.7014	1.1065	3.1312	4.8261	4.5637		1.8861
H10	2.1591	3.5580	4.6721	4.0977	1.1050	2.5200	5.5556	4.6929	1.8861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	111.924	C1	C2	O4	125.364
C1	C5	H9	120.436	C1	C5	H10	122.525
C2	C1	C5	121.434	C2	C1	H6	117.486
C2	N3	H7	110.538	C2	N3	H8	112.363
N3	C2	O4	122.448	C5	C1	H6	121.080
H7	N3	H8	108.579	H9	C5	H10	117.039

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: BLYP/STO-3G

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	-0.091
2	C	0.173
3	N	-0.346
4	O	-0.194
5	C	-0.142
6	H	0.075
7	H	0.180
8	H	0.176
9	H	0.088
10	H	0.081

	x	y	z	Total
	-0.215	-1.840	1.262	2.241
CHELPG
AIM
ESP

	x	y	z
x	6.235	0.548	-0.037
y	0.548	4.346	-0.045
z	-0.037	-0.045	0.957

<r²>	122.305
(<r²>)^1/2	11.059

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)