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	hartrees
Energy at 0K	-242.638536
Energy at 298.15K	-242.644278
Nuclear repulsion energy	160.679078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4151	3390	1.04
2	A	3951	3226	6.54
3	A	3811	3112	1.82
4	A	3728	3044	5.01
5	A	3651	2981	35.33
6	A	2102	1716	57.04
7	A	2019	1649	26.99
8	A	1949	1592	14.65
9	A	1688	1378	30.38
10	A	1546	1262	23.80
11	A	1461	1193	92.56
12	A	1303	1064	33.65
13	A	1228	1003	5.77
14	A	1221	997	2.02
15	A	1184	966	10.61
16	A	933	762	70.03
17	A	908	741	56.87
18	A	797	651	138.55
19	A	654	534	13.48
20	A	524	428	13.15
21	A	478	390	10.85
22	A	353	288	47.15
23	A	269	220	0.97
24	A	102	83	1.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.832	-0.639	-0.031
C2	-0.469	0.142	-0.012
N3	-1.654	-0.682	-0.086
O4	-0.532	1.362	0.001
C5	1.996	-0.036	0.025
H6	0.749	-1.716	-0.101
H7	-2.484	-0.148	0.204
H8	-1.574	-1.523	0.499
H9	2.063	1.043	0.090
H10	2.932	-0.579	0.007

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.5178	2.4873	2.4218	1.3114	1.0826	3.3601	2.6172	2.0879	2.1012
C2	1.5178		1.4453	1.2211	2.4713	2.2236	2.0468	2.0621	2.6896	3.4769
N3	2.4873	1.4453		2.3327	3.7080	2.6161	1.0277	1.0271	4.1017	4.5884
O4	2.4218	1.2211	2.3327		2.8887	3.3353	2.4757	3.1067	2.6164	3.9710
C5	1.3114	2.4713	3.7080	2.8887		2.0957	4.4842	3.8952	1.0836	1.0826
H6	1.0826	2.2236	2.6161	3.3353	2.0957		3.6053	2.4062	3.0622	2.4641
H7	3.3601	2.0468	1.0277	2.4757	4.4842	3.6053		1.6744	4.7017	5.4364
H8	2.6172	2.0621	1.0271	3.1067	3.8952	2.4062	1.6744		4.4695	4.6296
H9	2.0879	2.6896	4.1017	2.6164	1.0836	3.0622	4.7017	4.4695		1.8422
H10	2.1012	3.4769	4.5884	3.9710	1.0826	2.4641	5.4364	4.6296	1.8422

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.136	C1	C2	O4	123.950
C1	C5	H9	121.044	C1	C5	H10	122.438
C2	C1	C5	121.567	C2	C1	H6	116.541
C2	N3	H7	110.584	C2	N3	H8	111.924
N3	C2	O4	121.829	C5	C1	H6	121.891
H7	N3	H8	109.147	H9	C5	H10	116.517

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: HF/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	-0.086
2	C	0.285
3	N	-0.406
4	O	-0.258
5	C	-0.109
6	H	0.068
7	H	0.177
8	H	0.171
9	H	0.083
10	H	0.074

	x	y	z	Total
	0.348	-1.772	1.367	2.265
CHELPG
AIM
ESP

	x	y	z
x	5.077	0.395	-0.045
y	0.395	3.939	-0.073
z	-0.045	-0.073	0.857

<r²>	117.361
(<r²>)^1/2	10.833

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)