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	hartrees
Energy at 0K	-247.037877
Energy at 298.15K
HF Energy	-246.793317
Nuclear repulsion energy	162.571284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3743	3551	34.91
2	A	3614	3429	47.37
3	A	3300	3131	3.16
4	A	3211	3046	9.50
5	A	3196	3032	10.30
6	A	1799	1706	214.30
7	A	1715	1627	30.75
8	A	1661	1576	109.57
9	A	1475	1399	81.40
10	A	1382	1311	53.12
11	A	1315	1247	87.86
12	A	1133	1075	4.38
13	A	1059	1005	3.82
14	A	1026	973	34.06
15	A	987	937	11.07
16	A	832	789	6.80
17	A	812	770	27.45
18	A	627	595	21.86
19	A	609	578	5.89
20	A	476	451	10.75
21	A	467	443	11.56
22	A	282	268	7.84
23	A	256	242	252.66
24	A	113	107	11.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.798	-0.655	-0.012
C2	-0.478	0.133	-0.002
N3	-1.612	-0.638	-0.016
O4	-0.509	1.356	-0.003
C5	1.977	-0.030	0.010
H6	0.737	-1.741	-0.038
H7	-2.502	-0.168	0.062
H8	-1.589	-1.638	0.102
H9	2.017	1.054	0.033
H10	2.916	-0.573	0.004

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4996	2.4097	2.3983	1.3350	1.0879	3.3360	2.5839	2.0999	2.1197
C2	1.4996		1.3711	1.2235	2.4606	2.2337	2.0467	2.0935	2.6598	3.4665
N3	2.4097	1.3711		2.2787	3.6402	2.5950	1.0094	1.0077	4.0042	4.5282
O4	2.3983	1.2235	2.2787		2.8462	3.3384	2.5094	3.1851	2.5440	3.9305
C5	1.3350	2.4606	3.6402	2.8462		2.1138	4.4811	3.9132	1.0849	1.0845
H6	1.0879	2.2337	2.5950	3.3384	2.1138		3.6018	2.3324	3.0750	2.4726
H7	3.3360	2.0467	1.0094	2.5094	4.4811	3.6018		1.7313	4.6809	5.4329
H8	2.5839	2.0935	1.0077	3.1851	3.9132	2.3324	1.7313		4.5008	4.6302
H9	2.0999	2.6598	4.0042	2.5440	1.0849	3.0750	4.6809	4.5008		1.8590
H10	2.1197	3.4665	4.5282	3.9305	1.0845	2.4726	5.4329	4.6302	1.8590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.080	C1	C2	O4	123.140
C1	C5	H9	120.044	C1	C5	H10	122.013
C2	C1	C5	120.357	C2	C1	H6	118.497
C2	N3	H7	117.787	C2	N3	H8	122.562
N3	C2	O4	122.770	C5	C1	H6	121.146
H7	N3	H8	118.258	H9	C5	H10	117.943

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31G*

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)