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	hartrees
Energy at 0K	-52.680943
Energy at 298.15K	-52.688679
Nuclear repulsion energy	122.341977

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3699	3572	24.15
2	A	3572	3449	28.63
3	A	3221	3111	16.28
4	A	3149	3041	10.54
5	A	3137	3030	19.97
6	A	3113	3006	24.04
7	A	3050	2946	22.06
8	A	1756	1696	270.10
9	A	1697	1639	65.93
10	A	1619	1563	90.47
11	A	1490	1439	17.64
12	A	1471	1421	10.50
13	A	1441	1391	11.53
14	A	1415	1366	9.90
15	A	1370	1323	83.72
16	A	1211	1170	62.59
17	A	1082	1045	7.27
18	A	1055	1019	0.87
19	A	1006	971	7.33
20	A	949	917	61.17
21	A	940	907	13.06
22	A	800	773	11.61
23	A	739	714	5.00
24	A	657	634	12.88
25	A	559	540	31.34
26	A	540	522	32.00
27	A	488	471	8.93
28	A	403	390	174.62
29	A	357	345	13.48
30	A	307	296	4.49
31	A	254	246	9.69
32	A	164	158	0.20
33	A	65	63	4.58

Atom	x (Å)	y (Å)	z (Å)
N1	-1.741	0.677	0.205
H2	-2.676	0.286	0.305
H3	-1.524	1.486	0.781
C4	1.744	-0.841	0.238
H5	1.594	-1.322	1.221
H6	1.648	-1.637	-0.520
H7	2.761	-0.419	0.198
C8	0.996	1.544	-0.253
H9	0.227	2.283	-0.496
H10	2.035	1.892	-0.259
C11	-0.746	-0.265	-0.049
O12	-1.019	-1.440	-0.329
C13	0.694	0.234	-0.007

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0186	1.0169	3.8020	4.0190	4.1676	4.6334	2.9073	2.6352	3.9936	1.3944	2.2996	2.4844
H2	1.0186		1.7309	4.5624	4.6540	4.8041	5.4835	3.9216	3.6138	5.0092	2.0387	2.4753	3.3852
H3	1.0169	1.7309		4.0488	4.2188	4.6377	4.7251	2.7244	2.3091	3.7297	2.0888	3.1699	2.6663
C4	3.8020	4.5624	4.0488		1.1048	1.1026	1.1017	2.5474	3.5505	2.7933	2.5715	2.8829	1.5227
H5	4.0190	4.6540	4.2188	1.1048		1.7702	1.7955	3.2773	4.2208	3.5654	2.8640	3.0401	2.1768
H6	4.1676	4.8041	4.6377	1.1026	1.7702		1.7990	3.2576	4.1701	3.5593	2.7988	2.6810	2.1616
H7	4.6334	5.4835	4.7251	1.1017	1.7955	1.7990		2.6773	3.7689	2.4646	3.5183	3.9500	2.1769
C8	2.9073	3.9216	2.7244	2.5474	3.2773	3.2576	2.6773		1.0947	1.0956	2.5195	3.6006	1.3665
H9	2.6352	3.6138	2.3091	3.5505	4.2208	4.1701	3.7689	1.0947		1.8651	2.7645	3.9294	2.1584
H10	3.9936	5.0092	3.7297	2.7933	3.5654	3.5593	2.4646	1.0956	1.8651		3.5255	4.5196	2.1471
C11	1.3944	2.0387	2.0888	2.5715	2.8640	2.7988	3.5183	2.5195	2.7645	3.5255		1.2376	1.5244
O12	2.2996	2.4753	3.1699	2.8829	3.0401	2.6810	3.9500	3.6006	3.9294	4.5196	1.2376		2.4160
C13	2.4844	3.3852	2.6663	1.5227	2.1768	2.1616	2.1769	1.3665	2.1584	2.1471	1.5244	2.4160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	121.678	C1	H11	H13	116.613
C2	C1	C3	116.507	C2	C1	H11	114.427
C3	C1	H11	119.229	C4	H13	H8	123.601
C4	H13	H11	115.112	O5	C4	N6	106.641
O5	C4	H7	108.927	O5	C4	H13	110.878
N6	C4	H7	109.396	N6	C4	H13	109.815
H7	C4	H13	111.072	H8	H13	H11	121.181
H9	H8	H10	116.760	H9	H8	H13	122.173
H10	H8	H13	121.010	H12	H11	H13	121.681

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B3LYP/CEP-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	N	-0.367
2	H	0.326
3	H	0.317
4	C	-0.454
5	H	0.146
6	H	0.181
7	H	0.172
8	C	-0.694
9	H	0.236
10	H	0.240
11	C	-0.337
12	O	-0.124
13	C	0.357

	x	y	z	Total
	0.365	3.061	1.661	3.502
CHELPG
AIM
ESP

	x	y	z
x	8.445	0.472	-0.107
y	0.472	10.210	-0.222
z	-0.107	-0.222	4.824

<r²>	137.582
(<r²>)^1/2	11.730

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)