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	hartrees
Energy at 0K	-247.280924
Energy at 298.15K	-247.286474
HF Energy	-247.280924
Nuclear repulsion energy	163.288118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3778	3614	43.65
2	A	3641	3483	52.60
3	A	3264	3122	2.41
4	A	3179	3041	12.77
5	A	3162	3024	7.40
6	A	1823	1743	280.88
7	A	1725	1650	32.27
8	A	1634	1563	147.33
9	A	1446	1383	109.27
10	A	1373	1313	52.57
11	A	1298	1242	72.14
12	A	1126	1077	1.75
13	A	1046	1000	3.46
14	A	1013	969	53.26
15	A	1010	966	0.34
16	A	832	796	27.90
17	A	823	787	6.62
18	A	625	598	10.00
19	A	616	589	3.31
20	A	475	455	4.97
21	A	465	445	11.41
22	A	290	277	7.52
23	A	162	155	178.74
24	A	89	85	41.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.800	-0.652	-0.012
C2	-0.474	0.127	-0.013
N3	-1.606	-0.631	-0.016
O4	-0.511	1.341	-0.000
C5	1.966	-0.023	0.012
H6	0.749	-1.737	-0.036
H7	-2.489	-0.156	0.073
H8	-1.581	-1.627	0.112
H9	1.988	1.062	0.032
H10	2.907	-0.561	0.011

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4933	2.4071	2.3854	1.3249	1.0864	3.3272	2.5764	2.0849	2.1085
C2	1.4933		1.3628	1.2148	2.4449	2.2289	2.0362	2.0773	2.6336	3.4501
N3	2.4071	1.3628		2.2561	3.6244	2.6022	1.0058	1.0037	3.9733	4.5141
O4	2.3854	1.2148	2.2561		2.8277	3.3256	2.4815	3.1565	2.5144	3.9112
C5	1.3249	2.4449	3.6244	2.8277		2.1026	4.4573	3.8944	1.0848	1.0836
H6	1.0864	2.2289	2.6022	3.3256	2.1026		3.6045	2.3377	3.0608	2.4578
H7	3.3272	2.0362	1.0058	2.4815	4.4573	3.6045		1.7282	4.6392	5.4110
H8	2.5764	2.0773	1.0037	3.1565	3.8944	2.3377	1.7282		4.4687	4.6140
H9	2.0849	2.6336	3.9733	2.5144	1.0848	3.0608	4.6392	4.4687		1.8648
H10	2.1085	3.4501	4.5141	3.9112	1.0836	2.4578	5.4110	4.6140	1.8648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.793	C1	C2	O4	123.156
C1	C5	H9	119.491	C1	C5	H10	121.878
C2	C1	C5	120.233	C2	C1	H6	118.701
C2	N3	H7	117.768	C2	N3	H8	122.020
N3	C2	O4	122.049	C5	C1	H6	121.066
H7	N3	H8	118.633	H9	C5	H10	118.631

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: wB97X-D/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	-0.250
2	C	0.394
3	N	-0.485
4	O	-0.370
5	C	-0.162
6	H	0.111
7	H	0.246
8	H	0.238
9	H	0.151
10	H	0.127

	x	y	z	Total
	-0.457	-3.572	-0.001	3.601
CHELPG
AIM
ESP

	x	y	z
x	8.730	0.855	0.000
y	0.855	6.550	0.000
z	0.000	0.000	3.184

<r²>	114.682
(<r²>)^1/2	10.709

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)