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	hartrees
Energy at 0K	-247.358165
Energy at 298.15K	-247.363675
Nuclear repulsion energy	162.806064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3734	3608	26.13
2	A	3603	3482	34.38
3	A	3238	3129	5.40
4	A	3152	3046	12.67
5	A	3138	3033	15.58
6	A	1778	1719	256.86
7	A	1695	1638	37.23
8	A	1654	1598	119.70
9	A	1447	1398	82.50
10	A	1361	1315	45.97
11	A	1296	1252	102.11
12	A	1121	1084	3.51
13	A	1044	1009	4.75
14	A	1016	982	42.05
15	A	988	954	11.29
16	A	822	794	26.80
17	A	813	786	6.27
18	A	625	604	4.47
19	A	618	597	9.62
20	A	470	454	13.14
21	A	468	452	5.13
22	A	279	270	7.15
23	A	148	143	119.19
24	A	103	99	122.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.801	-0.649	-0.000
C2	-0.477	0.131	-0.000
N3	-1.609	-0.637	-0.000
O4	-0.516	1.349	0.000
C5	1.976	-0.027	0.000
H6	0.747	-1.736	-0.000
H7	-2.502	-0.172	0.001
H8	-1.588	-1.642	0.001
H9	2.014	1.057	-0.000
H10	2.915	-0.570	-0.000

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4976	2.4104	2.3931	1.3294	1.0880	3.3377	2.5875	2.0932	2.1148
C2	1.4976		1.3680	1.2183	2.4580	2.2322	2.0476	2.0924	2.6571	3.4632
N3	2.4104	1.3680		2.2666	3.6366	2.5995	1.0069	1.0051	3.9991	4.5242
O4	2.3931	1.2183	2.2666		2.8464	3.3330	2.5012	3.1769	2.5461	3.9306
C5	1.3294	2.4580	3.6366	2.8464		2.1051	4.4803	3.9130	1.0848	1.0843
H6	1.0880	2.2322	2.5995	3.3330	2.1051		3.6057	2.3369	3.0669	2.4616
H7	3.3377	2.0476	1.0069	2.5012	4.4803	3.6057		1.7310	4.6797	5.4313
H8	2.5875	2.0924	1.0051	3.1769	3.9130	2.3369	1.7310		4.5008	4.6287
H9	2.0932	2.6571	3.9991	2.5461	1.0848	3.0669	4.6797	4.5008		1.8600
H10	2.1148	3.4632	4.5242	3.9306	1.0843	2.4616	5.4313	4.6287	1.8600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.448	C1	C2	O4	123.235
C1	C5	H9	119.892	C1	C5	H10	122.042
C2	C1	C5	120.684	C2	C1	H6	118.528
C2	N3	H7	118.329	C2	N3	H8	122.966
N3	C2	O4	122.317	C5	C1	H6	120.789
H7	N3	H8	118.705	H9	C5	H10	118.066

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: B3LYP/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	ESP
1	C	-0.305	-0.335
2	C	0.492	0.819
3	N	-0.788	-1.023
4	O	-0.366	-0.551
5	C	-0.367	-0.276
6	H	0.187	0.168
7	H	0.353	0.438
8	H	0.350	0.426
9	H	0.232	0.166
10	H	0.211	0.167

	x	y	z	Total
	-0.488	-3.581	0.002	3.614
CHELPG
AIM
ESP	-0.462	-3.581	0.003	3.611

	x	y	z
x	8.984	0.834	-0.000
y	0.834	6.594	0.002
z	-0.000	0.002	3.078

<r²>	115.511
(<r²>)^1/2	10.748

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: B3LYP/6-311G*

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)