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	hartrees
Energy at 0K	-246.994480
Energy at 298.15K	-246.999964
Nuclear repulsion energy	161.610508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3631	3579	25.93
2	A	3503	3453	28.04
3	A	3197	3152	3.43
4	A	3107	3062	7.71
5	A	3087	3043	16.43
6	A	1746	1721	187.48
7	A	1659	1636	25.94
8	A	1592	1569	103.90
9	A	1406	1386	77.80
10	A	1330	1311	39.78
11	A	1259	1241	70.45
12	A	1087	1072	3.29
13	A	1008	994	2.93
14	A	987	973	27.66
15	A	937	924	15.61
16	A	800	789	6.95
17	A	785	774	20.26
18	A	610	601	14.55
19	A	590	581	4.96
20	A	456	449	9.89
21	A	449	442	8.65
22	A	267	263	6.89
23	A	205	202	216.20
24	A	120	118	22.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.801	-0.658	-0.012
C2	0.476	0.128	-0.003
N3	1.619	-0.642	-0.026
O4	0.515	1.362	-0.002
C5	-1.985	-0.027	0.010
H6	-0.744	-1.754	-0.039
H7	2.508	-0.160	0.084
H8	1.598	-1.645	0.139
H9	-2.011	1.067	0.033
H10	-2.935	-0.571	0.006

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4993	2.4197	2.4111	1.3422	1.0981	3.3477	2.5981	2.1079	2.1355
C2	1.4993		1.3787	1.2345	2.4660	2.2436	2.0548	2.1035	2.6581	3.4811
N3	2.4197	1.3787		2.2883	3.6564	2.6116	1.0177	1.0167	4.0124	4.5539
O4	2.4111	1.2345	2.2883		2.8606	3.3616	2.5095	3.1995	2.5433	3.9542
C5	1.3422	2.4660	3.6564	2.8606		2.1274	4.4962	3.9335	1.0951	1.0937
H6	1.0981	2.2436	2.6116	3.3616	2.1274		3.6242	2.3511	3.0938	2.4901
H7	3.3477	2.0548	1.0177	2.5095	4.4962	3.6242		1.7429	4.6830	5.4587
H8	2.5981	2.1035	1.0167	3.1995	3.9335	2.3511	1.7429		4.5156	4.6597
H9	2.1079	2.6581	4.0124	2.5433	1.0951	3.0938	4.6830	4.5156		1.8807
H10	2.1355	3.4811	4.5539	3.9542	1.0937	2.4901	5.4587	4.6597	1.8807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.371	C1	C2	O4	123.464
C1	C5	H9	119.379	C1	C5	H10	122.162
C2	C1	C5	120.316	C2	C1	H6	118.677
C2	N3	H7	117.263	C2	N3	H8	122.106
N3	C2	O4	122.150	C5	C1	H6	121.007
H7	N3	H8	117.897	H9	C5	H10	118.459

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: PBEPBE/6-31G*

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	-0.138
2	C	0.528
3	N	-0.733
4	O	-0.479
5	C	-0.328
6	H	0.133
7	H	0.340
8	H	0.331
9	H	0.187
10	H	0.158

	x	y	z	Total
	0.544	-3.351	0.440	3.424
CHELPG
AIM
ESP

	x	y	z
x	9.069	-0.777	-0.007
y	-0.777	6.621	0.020
z	-0.007	0.020	2.509

<r²>	116.299
(<r²>)^1/2	10.784

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)