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	hartrees
Energy at 0K	-286.277531
Energy at 298.15K	-286.285284
Nuclear repulsion energy	226.993605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3604	3583	24.03
2	A	3468	3448	18.38
3	A	3169	3151	10.39
4	A	3084	3066	9.93
5	A	3074	3056	5.40
6	A	3045	3027	7.62
7	A	2975	2958	14.57
8	A	1721	1711	210.92
9	A	1653	1643	34.03
10	A	1527	1518	97.36
11	A	1412	1404	23.04
12	A	1385	1377	11.68
13	A	1374	1366	14.28
14	A	1353	1345	23.76
15	A	1323	1315	34.99
16	A	1197	1190	34.81
17	A	1057	1051	3.74
18	A	1016	1010	0.94
19	A	972	966	4.84
20	A	930	924	3.71
21	A	897	892	27.87
22	A	795	790	11.10
23	A	733	729	6.45
24	A	647	644	8.79
25	A	560	557	21.49
26	A	542	539	7.21
27	A	494	491	4.26
28	A	386	384	136.80
29	A	361	359	20.07
30	A	316	314	4.51
31	A	260	258	10.60
32	A	159	158	0.41
33	A	73	72	4.40

Atom	x (Å)	y (Å)	z (Å)
N1	-1.681	0.765	0.220
H2	-2.644	0.438	0.318
H3	-1.412	1.571	0.785
C4	1.673	-0.916	0.240
H5	1.543	-1.346	1.256
H6	1.463	-1.743	-0.468
H7	2.721	-0.581	0.127
C8	1.074	1.480	-0.252
H9	0.339	2.262	-0.491
H10	2.136	1.770	-0.265
C11	-0.748	-0.221	-0.035
O12	-1.073	-1.378	-0.316
C13	0.702	0.206	0.002

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0222	1.0204	3.7515	3.9902	4.0801	4.6041	2.8850	2.6124	3.9767	1.3810	2.2915	2.4569
H2	1.0222		1.7382	4.5251	4.6469	4.7163	5.4645	3.9034	3.5888	4.9966	2.0379	2.4837	3.3688
H3	1.0204	1.7382		3.9995	4.1785	4.5623	4.7058	2.6949	2.2738	3.7052	2.0794	3.1664	2.6349
C4	3.7515	4.5251	3.9995		1.1106	1.1083	1.1059	2.5178	3.5232	2.7721	2.5339	2.8399	1.5030
H5	3.9902	4.6469	4.1785	1.1106		1.7700	1.8017	3.2368	4.1856	3.5180	2.8601	3.0520	2.1655
H6	4.0801	4.7163	4.5623	1.1083	1.7700		1.8122	3.2531	4.1596	3.5825	2.7191	2.5671	2.1443
H7	4.6041	5.4645	4.7058	1.1059	1.8017	1.8122		2.6654	3.7606	2.4549	3.4918	3.9024	2.1711
C8	2.8850	3.9034	2.6949	2.5178	3.2368	3.2531	2.6654		1.1000	1.1009	2.5024	3.5757	1.3510
H9	2.6124	3.5888	2.2738	3.5232	4.1856	4.1596	3.7606	1.1000		1.8770	2.7487	3.9085	2.1450
H10	3.9767	4.9966	3.7052	2.7721	3.5180	3.5825	2.4549	1.1009	1.8770		3.5126	4.4963	2.1390
C11	1.3810	2.0379	2.0794	2.5339	2.8601	2.7191	3.4918	2.5024	2.7487	3.5126		1.2345	1.5120
O12	2.2915	2.4837	3.1664	2.8399	3.0520	2.5671	3.9024	3.5757	3.9085	4.4963	1.2345		2.4004
C13	2.4569	3.3688	2.6349	1.5030	2.1655	2.1443	2.1711	1.3510	2.1450	2.1390	1.5120	2.4004

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.260	C1	H11	H13	116.187
C2	C1	C3	116.637	C2	C1	H11	115.182
C3	C1	H11	119.213	C4	H13	H8	123.728
C4	H13	H11	114.370	O5	C4	N6	105.819
O5	C4	H7	108.756	O5	C4	H13	111.013
N6	C4	H7	109.858	N6	C4	H13	109.473
H7	C4	H13	111.748	H8	H13	H11	121.757
H9	H8	H10	117.044	H9	H8	H13	121.783
H10	H8	H13	121.131	H12	H11	H13	121.520

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: PBEPBE/cc-pVDZ

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	-0.081
2	H	0.099
3	H	0.098
4	C	0.019
5	H	0.050
6	H	0.064
7	H	0.023
8	C	0.033
9	H	0.016
10	H	0.022
11	C	0.094
12	O	-0.230
13	C	-0.206

	x	y	z	Total
	0.092	2.657	1.467	3.037
CHELPG
AIM
ESP

	x	y	z
x	9.295	0.267	-0.225
y	0.267	10.149	-0.197
z	-0.225	-0.197	4.800

<r²>	165.317
(<r²>)^1/2	12.858

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)