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	hartrees
Energy at 0K	-245.845368
Energy at 298.15K	-245.851385
Nuclear repulsion energy	164.060432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3947	3584	52.20
2	A	3809	3459	59.00
3	A	3420	3105	2.05
4	A	3336	3029	12.78
5	A	3313	3008	8.29
6	A	1962	1782	356.61
7	A	1850	1680	57.22
8	A	1756	1594	140.91
9	A	1551	1408	133.58
10	A	1459	1325	64.61
11	A	1388	1261	97.58
12	A	1215	1103	10.82
13	A	1129	1025	5.70
14	A	1128	1024	26.47
15	A	1096	995	21.70
16	A	909	825	46.39
17	A	886	804	6.85
18	A	673	611	27.29
19	A	639	580	10.95
20	A	512	465	13.02
21	A	502	456	13.20
22	A	310	281	231.70
23	A	302	274	11.22
24	A	117	106	8.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.801	-0.645	-0.021
C2	0.478	0.130	-0.008
N3	1.605	-0.631	-0.033
O4	0.513	1.327	-0.004
C5	-1.965	-0.021	0.018
H6	-0.747	-1.727	-0.066
H7	2.469	-0.155	0.123
H8	1.566	-1.598	0.206
H9	-2.002	1.060	0.058
H10	-2.901	-0.566	0.011

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4959	2.4059	2.3700	1.3220	1.0839	3.3099	2.5620	2.0871	2.1017
C2	1.4959		1.3601	1.1973	2.4486	2.2256	2.0159	2.0536	2.6498	3.4501
N3	2.4059	1.3601		2.2423	3.6226	2.5947	0.9992	0.9967	3.9849	4.5064
O4	2.3700	1.1973	2.2423		2.8218	3.3043	2.4578	3.1161	2.5306	3.9037
C5	1.3220	2.4486	3.6226	2.8218		2.0980	4.4383	3.8726	1.0819	1.0824
H6	1.0839	2.2256	2.5947	3.3043	2.0980		3.5848	2.3329	3.0586	2.4480
H7	3.3099	2.0159	0.9992	2.4578	4.4383	3.5848		1.7040	4.6344	5.3871
H8	2.5620	2.0536	0.9967	3.1161	3.8726	2.3329	1.7040		4.4521	4.5891
H9	2.0871	2.6498	3.9849	2.5306	1.0819	3.0586	4.6344	4.4521		1.8577
H10	2.1017	3.4501	4.5064	3.9037	1.0824	2.4480	5.3871	4.5891	1.8577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.701	C1	C2	O4	122.901
C1	C5	H9	120.175	C1	C5	H10	121.564
C2	C1	C5	120.553	C2	C1	H6	118.369
C2	N3	H7	116.559	C2	N3	H8	120.448
N3	C2	O4	122.382	C5	C1	H6	121.078
H7	N3	H8	117.241	H9	C5	H10	118.261

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: HF/cc-pVDZ

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	CHELPG
1	C	-0.210	-0.332
2	C	0.351	0.881
3	N	-0.218	-0.903
4	O	-0.385	-0.630
5	C	0.066	-0.186
6	H	0.024	0.145
7	H	0.124	0.381
8	H	0.114	0.363
9	H	0.077	0.147
10	H	0.056	0.135

	x	y	z	Total
	0.037	-3.542	0.633	3.598
CHELPG
AIM
ESP

	x	y	z
x	8.086	-0.829	-0.027
y	-0.829	6.060	0.037
z	-0.027	0.037	2.773

<r²>	114.179
(<r²>)^1/2	10.685

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: HF/cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)