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	hartrees
Energy at 0K	-286.576770
Energy at 298.15K	-286.584801
Nuclear repulsion energy	225.968508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3764	3618	31.71
2	A	3611	3471	39.91
3	A	3263	3136	19.91
4	A	3165	3042	5.34
5	A	3158	3036	18.09
6	A	3126	3005	19.99
7	A	3047	2929	18.47
8	A	1707	1641	26.44
9	A	1668	1604	278.47
10	A	1626	1563	111.36
11	A	1521	1462	24.37
12	A	1497	1439	15.21
13	A	1475	1418	10.89
14	A	1445	1389	15.21
15	A	1399	1345	99.59
16	A	1248	1200	68.65
17	A	1096	1054	5.40
18	A	1087	1045	4.10
19	A	1039	998	7.05
20	A	1010	971	68.64
21	A	966	928	2.98
22	A	815	783	23.88
23	A	740	712	3.11
24	A	681	655	59.14
25	A	602	579	90.03
26	A	565	543	9.88
27	A	525	505	143.53
28	A	502	482	21.48
29	A	378	363	1.23
30	A	332	319	4.63
31	A	268	258	11.64
32	A	157	151	0.28
33	A	71	69	8.99

Atom	x (Å)	y (Å)	z (Å)
N1	-1.680	0.755	0.299
H2	-2.661	0.508	0.253
H3	-1.413	1.657	0.665
C4	1.675	-0.926	0.270
H5	1.526	-1.331	1.280
H6	1.494	-1.752	-0.427
H7	2.714	-0.592	0.176
C8	1.093	1.470	-0.281
H9	0.387	2.255	-0.544
H10	2.144	1.748	-0.286
C11	-0.750	-0.208	-0.042
O12	-1.097	-1.377	-0.356
C13	0.707	0.202	-0.008

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0120	1.0096	3.7529	3.9487	4.1097	4.5974	2.9213	2.6899	3.9937	1.3816	2.3046	2.4690
H2	1.0120		1.7454	4.5668	4.6865	4.7786	5.4864	3.9109	3.6024	4.9908	2.0619	2.5232	3.3910
H3	1.0096	1.7454		4.0448	4.2355	4.6113	4.7247	2.6842	2.2495	3.6826	2.1014	3.2161	2.6573
C4	3.7529	4.5668	4.0448		1.0985	1.0962	1.0952	2.5264	3.5271	2.7707	2.5480	2.8780	1.5126
H5	3.9487	4.6865	4.2355	1.0985		1.7585	1.7827	3.2358	4.1817	3.5094	2.8612	3.0917	2.1639
H6	4.1097	4.7786	4.6113	1.0962	1.7585		1.7881	3.2504	4.1592	3.5623	2.7512	2.6199	2.1481
H7	4.5974	5.4864	4.7247	1.0952	1.7827	1.7881		2.6623	3.7465	2.4518	3.4915	3.9275	2.1665
C8	2.9213	3.9109	2.6842	2.5264	3.2358	3.2504	2.6623		1.0878	1.0873	2.5030	3.5923	1.3531
H9	2.6899	3.6024	2.2495	3.5271	4.1817	4.1592	3.7465	1.0878		1.8463	2.7589	3.9283	2.1459
H10	3.9937	4.9908	3.6826	2.7707	3.5094	3.5623	2.4518	1.0873	1.8463		3.5006	4.5023	2.1289
C11	1.3816	2.0619	2.1014	2.5480	2.8612	2.7512	3.4915	2.5030	2.7589	3.5006		1.2593	1.5129
O12	2.3046	2.5232	3.2161	2.8780	3.0917	2.6199	3.9275	3.5923	3.9283	4.5023	1.2593		2.4221
C13	2.4690	3.3910	2.6573	1.5126	2.1639	2.1481	2.1665	1.3531	2.1459	2.1289	1.5129	2.4221

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	121.475	C1	H11	H13	117.010
C2	C1	C3	119.398	C2	C1	H11	118.134
C3	C1	H11	122.239	C4	H13	H8	123.575
C4	H13	H11	114.743	O5	C4	N6	106.499
O5	C4	H7	108.712	O5	C4	H13	110.942
N6	C4	H7	109.373	N6	C4	H13	109.828
H7	C4	H13	111.354	H8	H13	H11	121.591
H9	H8	H10	116.168	H9	H8	H13	122.708
H10	H8	H13	121.078	H12	H11	H13	121.513

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B3LYP/SDD

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	N	-0.626
2	H	0.334
3	H	0.320
4	C	-0.726
5	H	0.217
6	H	0.249
7	H	0.199
8	C	-0.655
9	H	0.214
10	H	0.225
11	C	0.178
12	O	-0.297
13	C	0.369

	x	y	z	Total
	0.491	3.646	1.318	3.908
CHELPG
AIM
ESP

	x	y	z
x	8.128	0.579	-0.201
y	0.579	9.776	-0.122
z	-0.201	-0.122	4.603

<r²>	167.013
(<r²>)^1/2	12.923

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)