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	hartrees
Energy at 0K	-247.052472
Energy at 298.15K	-247.058091
HF Energy	-247.052472
Nuclear repulsion energy	162.947819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3787	3616	51.57
2	A	3642	3477	56.88
3	A	3286	3138	1.32
4	A	3193	3049	12.07
5	A	3180	3036	6.54
6	A	1799	1718	310.09
7	A	1717	1639	37.81
8	A	1631	1557	146.61
9	A	1444	1379	113.86
10	A	1370	1308	52.25
11	A	1295	1236	71.05
12	A	1119	1069	1.37
13	A	1039	992	4.67
14	A	1017	971	58.74
15	A	1005	959	2.85
16	A	830	792	5.39
17	A	823	785	21.81
18	A	617	589	2.77
19	A	617	589	9.63
20	A	471	449	13.93
21	A	468	447	4.85
22	A	274	262	8.00
23	A	209	199	208.93
24	A	114	109	18.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.798	-0.653	-0.013
C2	-0.478	0.131	-0.015
N3	-1.608	-0.634	0.023
O4	-0.510	1.350	-0.007
C5	1.975	-0.028	0.010
H6	0.737	-1.740	-0.038
H7	-2.501	-0.168	0.017
H8	-1.587	-1.638	-0.037
H9	2.013	1.059	0.034
H10	2.913	-0.574	0.026

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4970	2.4059	2.3918	1.3332	1.0893	3.3344	2.5800	2.0996	2.1174
C2	1.4970		1.3650	1.2197	2.4583	2.2308	2.0451	2.0875	2.6588	3.4640
N3	2.4059	1.3650		2.2678	3.6339	2.5933	1.0079	1.0058	3.9972	4.5215
O4	2.3918	1.2197	2.2678		2.8415	3.3323	2.5033	3.1761	2.5403	3.9272
C5	1.3332	2.4583	3.6339	2.8415		2.1136	4.4783	3.9091	1.0873	1.0859
H6	1.0893	2.2308	2.5933	3.3323	2.1136		3.6002	2.3259	3.0768	2.4696
H7	3.3344	2.0451	1.0079	2.5033	4.4783	3.6002		1.7326	4.6777	5.4295
H8	2.5800	2.0875	1.0058	3.1761	3.9091	2.3259	1.7326		4.4984	4.6243
H9	2.0996	2.6588	3.9972	2.5403	1.0873	3.0768	4.6777	4.4984		1.8646
H10	2.1174	3.4640	4.5215	3.9272	1.0859	2.4696	5.4295	4.6243	1.8646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.337	C1	C2	O4	123.059
C1	C5	H9	119.980	C1	C5	H10	121.823
C2	C1	C5	120.483	C2	C1	H6	118.351
C2	N3	H7	118.280	C2	N3	H8	122.686
N3	C2	O4	122.562	C5	C1	H6	121.165
H7	N3	H8	118.731	H9	C5	H10	118.188

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: HSEh1PBE/6-31+G**

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	0.159
2	C	0.249
3	N	-0.574
4	O	-0.543
5	C	-0.435
6	H	0.144
7	H	0.335
8	H	0.309
9	H	0.195
10	H	0.162

	x	y	z	Total
	0.320	-3.748	-0.000	3.761
CHELPG
AIM
ESP

	x	y	z
x	9.446	-0.859	-0.000
y	-0.859	7.245	0.000
z	-0.000	0.000	4.450

<r²>	115.390
(<r²>)^1/2	10.742

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)