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	hartrees
Energy at 0K	-246.442111
Energy at 298.15K	-246.447889
HF Energy	-245.819515
Nuclear repulsion energy	163.632428

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3870	3574	49.29
2	A	3742	3457	64.26
3	A	3388	3129	2.63
4	A	3302	3050	10.23
5	A	3285	3034	6.30
6	A	1913	1767	293.06
7	A	1814	1676	38.95
8	A	1724	1592	147.37
9	A	1531	1414	109.25
10	A	1441	1331	66.95
11	A	1369	1264	82.92
12	A	1185	1095	3.68
13	A	1106	1022	4.34
14	A	1071	989	54.11
15	A	1050	970	0.01
16	A	870	804	6.15
17	A	854	789	40.62
18	A	651	601	23.40
19	A	629	581	10.46
20	A	495	457	9.95
21	A	485	448	14.25
22	A	295	273	7.57
23	A	246	227	285.72
24	A	100	92	14.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.798	-0.651	-0.019
C2	-0.475	0.127	-0.006
N3	-1.605	-0.631	-0.024
O4	-0.508	1.339	-0.005
C5	1.964	-0.025	0.017
H6	0.741	-1.731	-0.061
H7	-2.478	-0.152	0.096
H8	-1.584	-1.614	0.162
H9	1.999	1.053	0.053
H10	2.900	-0.563	0.008

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4914	2.4031	2.3805	1.3242	1.0821	3.3161	2.5750	2.0866	2.1038
C2	1.4914		1.3610	1.2130	2.4433	2.2207	2.0257	2.0709	2.6423	3.4439
N3	2.4031	1.3610		2.2550	3.6204	2.5916	1.0032	1.0011	3.9792	4.5054
O4	2.3805	1.2130	2.2550		2.8232	3.3150	2.4731	3.1475	2.5240	3.9023
C5	1.3242	2.4433	3.6204	2.8232		2.1007	4.4449	3.8899	1.0793	1.0793
H6	1.0821	2.2207	2.5916	3.3150	2.1007		3.5893	2.3380	3.0575	2.4555
H7	3.3161	2.0257	1.0032	2.4731	4.4449	3.5893		1.7158	4.6372	5.3944
H8	2.5750	2.0709	1.0011	3.1475	3.8899	2.3380	1.7158		4.4679	4.6073
H9	2.0866	2.6423	3.9792	2.5240	1.0793	3.0575	4.6372	4.4679		1.8505
H10	2.1038	3.4439	4.5054	3.9023	1.0793	2.4555	5.3944	4.6073	1.8505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.729	C1	C2	O4	123.014
C1	C5	H9	120.151	C1	C5	H10	121.830
C2	C1	C5	120.283	C2	C1	H6	118.428
C2	N3	H7	117.121	C2	N3	H8	121.749
N3	C2	O4	122.243	C5	C1	H6	121.289
H7	N3	H8	117.754	H9	C5	H10	118.019

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: CID/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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All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: CID/6-31G*

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)