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	hartrees
Energy at 0K	-245.888782
Energy at 298.15K	-245.894434
Nuclear repulsion energy	164.454365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3971	3608	55.22
2	A	3833	3482	67.58
3	A	3394	3083	3.36
4	A	3316	3013	14.18
5	A	3295	2994	9.62
6	A	1946	1768	384.58
7	A	1839	1671	56.82
8	A	1773	1611	151.83
9	A	1561	1418	120.50
10	A	1461	1327	65.94
11	A	1393	1266	138.09
12	A	1213	1102	6.68
13	A	1137	1033	29.43
14	A	1130	1027	6.66
15	A	1102	1002	30.08
16	A	909	826	42.70
17	A	879	799	5.70
18	A	670	609	17.82
19	A	649	590	4.79
20	A	510	463	9.71
21	A	503	457	5.72
22	A	302	274	7.91
23	A	128	117	47.16
24	A	55	50	207.45

Atom	x (Å)	y (Å)	z (Å)
C1	-0.801	-0.643	-0.006
C2	0.478	0.133	-0.002
N3	1.599	-0.628	-0.009
O4	0.514	1.326	-0.001
C5	-1.963	-0.022	0.005
H6	-0.746	-1.719	-0.018
H7	2.479	-0.169	0.035
H8	1.570	-1.616	0.055
H9	-2.002	1.052	0.016
H10	-2.891	-0.564	0.003

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4963	2.4006	2.3680	1.3171	1.0772	3.3141	2.5632	2.0779	2.0918
C2	1.4963		1.3548	1.1943	2.4458	2.2195	2.0233	2.0618	2.6458	3.4410
N3	2.4006	1.3548		2.2358	3.6132	2.5864	0.9928	0.9902	3.9746	4.4913
O4	2.3680	1.1943	2.2358		2.8194	3.2953	2.4697	3.1264	2.5309	3.8946
C5	1.3171	2.4458	3.6132	2.8194		2.0882	4.4437	3.8754	1.0750	1.0755
H6	1.0772	2.2195	2.5864	3.2953	2.0882		3.5778	2.3187	3.0429	2.4367
H7	3.3141	2.0233	0.9928	2.4697	4.4437	3.5778		1.7087	4.6446	5.3846
H8	2.5632	2.0618	0.9902	3.1264	3.8754	2.3187	1.7087		4.4586	4.5835
H9	2.0779	2.6458	3.9746	2.5309	1.0750	3.0429	4.6446	4.4586		1.8447
H10	2.0918	3.4410	4.4913	3.8946	1.0755	2.4367	5.3846	4.5835	1.8447

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.613	C1	C2	O4	122.918
C1	C5	H9	120.266	C1	C5	H10	121.586
C2	C1	C5	120.631	C2	C1	H6	118.278
C2	N3	H7	118.232	C2	N3	H8	122.330
N3	C2	O4	122.468	C5	C1	H6	121.091
H7	N3	H8	119.005	H9	C5	H10	118.147

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: HF/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	-0.296
2	C	0.571
3	N	-0.531
4	O	-0.490
5	C	-0.089
6	H	0.096
7	H	0.243
8	H	0.232
9	H	0.145
10	H	0.118

	x	y	z	Total
	0.088	-3.717	0.182	3.722
CHELPG
AIM
ESP

	x	y	z
x	8.107	-0.859	-0.007
y	-0.859	6.114	0.011
z	-0.007	0.011	3.118

<r²>	113.891
(<r²>)^1/2	10.672

All results from a given calculation for CH2CHCONH2 (Acrylamide)

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

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)