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	hartrees
Energy at 0K	-247.259434
Energy at 298.15K	-247.265017
Nuclear repulsion energy	163.560865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3767	3616	41.20
2	A	3628	3483	49.37
3	A	3259	3129	2.63
4	A	3170	3043	13.49
5	A	3155	3029	7.58
6	A	1807	1735	266.37
7	A	1710	1642	30.93
8	A	1620	1555	141.75
9	A	1434	1377	103.17
10	A	1365	1310	47.09
11	A	1287	1236	67.27
12	A	1115	1070	1.46
13	A	1034	993	3.16
14	A	1017	976	42.04
15	A	997	957	7.98
16	A	823	791	24.61
17	A	822	789	5.81
18	A	624	599	3.19
19	A	617	593	9.91
20	A	472	453	10.96
21	A	464	445	5.12
22	A	284	273	7.45
23	A	167	160	170.47
24	A	115	111	39.87

Atom	x (Å)	y (Å)	z (Å)
C1	-0.794	-0.657	-0.000
C2	0.474	0.130	-0.000
N3	1.605	-0.627	0.000
O4	0.498	1.344	-0.000
C5	-1.961	-0.028	0.000
H6	-0.737	-1.741	-0.001
H7	2.493	-0.156	0.000
H8	1.583	-1.629	0.000
H9	-1.975	1.056	0.001
H10	-2.903	-0.561	0.000

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4917	2.3990	2.3816	1.3257	1.0857	3.3247	2.5679	2.0807	2.1110
C2	1.4917		1.3607	1.2143	2.4396	2.2281	2.0394	2.0793	2.6181	3.4462
N3	2.3990	1.3607		2.2596	3.6157	2.5934	1.0049	1.0029	3.9557	4.5081
O4	2.3816	1.2143	2.2596		2.8158	3.3228	2.4955	3.1644	2.4901	3.8980
C5	1.3257	2.4396	3.6157	2.8158		2.1056	4.4556	3.8887	1.0839	1.0822
H6	1.0857	2.2281	2.5934	3.3228	2.1056		3.5976	2.3223	3.0589	2.4666
H7	3.3247	2.0394	1.0049	2.4955	4.4556	3.5976		1.7315	4.6295	5.4108
H8	2.5679	2.0793	1.0029	3.1644	3.8887	2.3223	1.7315		4.4574	4.6110
H9	2.0807	2.6181	3.9557	2.4901	1.0839	3.0589	4.6295	4.4574		1.8640
H10	2.1110	3.4462	4.5081	3.8980	1.0822	2.4666	5.4108	4.6110	1.8640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.428	C1	C2	O4	122.986
C1	C5	H9	119.078	C1	C5	H10	122.166
C2	C1	C5	119.856	C2	C1	H6	118.801
C2	N3	H7	118.335	C2	N3	H8	122.492
N3	C2	O4	122.587	C5	C1	H6	121.343
H7	N3	H8	119.172	H9	C5	H10	118.756

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: B1B95/6-311G**

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	-0.241
2	C	0.394
3	N	-0.478
4	O	-0.369
5	C	-0.162
6	H	0.108
7	H	0.241
8	H	0.233
9	H	0.148
10	H	0.126

	x	y	z	Total
	0.527	-3.530	0.001	3.569
CHELPG
AIM
ESP

	x	y	z
x	8.884	-0.834	-0.000
y	-0.834	6.602	0.000
z	-0.000	0.000	3.179

<r²>	114.175
(<r²>)^1/2	10.685

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)