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	hartrees
Energy at 0K	-284.961125
Energy at 298.15K	-284.969255
Nuclear repulsion energy	228.604021

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3718	3549	36.32
2	A	3585	3423	35.38
3	A	3263	3115	10.13
4	A	3182	3038	4.46
5	A	3180	3035	7.06
6	A	3143	3000	8.45
7	A	3077	2938	10.41
8	A	1762	1682	149.71
9	A	1727	1649	79.17
10	A	1673	1597	82.48
11	A	1557	1487	23.12
12	A	1537	1467	14.33
13	A	1498	1430	9.78
14	A	1456	1390	23.86
15	A	1394	1331	105.42
16	A	1272	1214	53.37
17	A	1118	1068	1.83
18	A	1110	1059	4.40
19	A	1061	1012	5.12
20	A	981	936	44.82
21	A	963	919	11.76
22	A	853	814	46.87
23	A	743	710	5.20
24	A	699	667	55.09
25	A	610	583	60.87
26	A	580	554	3.87
27	A	534	509	126.15
28	A	510	487	64.59
29	A	382	365	4.15
30	A	329	314	7.72
31	A	277	264	11.99
32	A	144	138	0.37
33	A	81	78	6.88

Atom	x (Å)	y (Å)	z (Å)
N1	-1.656	0.756	0.255
H2	-2.638	0.519	0.208
H3	-1.383	1.649	0.637
C4	1.645	-0.925	0.238
H5	1.558	-1.288	1.269
H6	1.363	-1.753	-0.419
H7	2.679	-0.631	0.050
C8	1.077	1.468	-0.249
H9	0.366	2.250	-0.496
H10	2.125	1.747	-0.256
C11	-0.745	-0.215	-0.037
O12	-1.064	-1.380	-0.313
C13	0.695	0.215	0.000

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0115	1.0089	3.7039	3.9410	3.9825	4.5562	2.8682	2.6238	3.9414	1.3629	2.2884	2.4261
H2	1.0115		1.7424	4.5199	4.6901	4.6436	5.4428	3.8610	3.5377	4.9402	2.0454	2.5215	3.3539
H3	1.0089	1.7424		3.9938	4.2036	4.4973	4.6951	2.6203	2.1688	3.6205	2.0820	3.1908	2.6042
C4	3.7039	4.5199	3.9938		1.0965	1.0938	1.0918	2.5073	3.5004	2.7597	2.5079	2.8014	1.5021
H5	3.9410	4.6901	4.2036	1.0965		1.7616	1.7819	3.1828	4.1291	3.4437	2.8561	3.0633	2.1472
H6	3.9825	4.6436	4.4973	1.0938	1.7616		1.7922	3.2382	4.1257	3.5861	2.6369	2.4575	2.1195
H7	4.5562	5.4428	4.6951	1.0918	1.7819	1.7922		2.6579	3.7347	2.4614	3.4504	3.8348	2.1572
C8	2.8682	3.8610	2.6203	2.5073	3.1828	3.2382	2.6579		1.0848	1.0846	2.4888	3.5637	1.3335
H9	2.6238	3.5377	2.1688	3.5004	4.1291	4.1257	3.7347	1.0848		1.8444	2.7422	3.9062	2.1205
H10	3.9414	4.9402	3.6205	2.7597	3.4437	3.5861	2.4614	1.0846	1.8444		3.4830	4.4670	2.1112
C11	1.3629	2.0454	2.0820	2.5079	2.8561	2.6369	3.4504	2.4888	2.7422	3.4830		1.2396	1.5034
O12	2.2884	2.5215	3.1908	2.8014	3.0633	2.4575	3.8348	3.5637	3.9062	4.4670	1.2396		2.3954
C13	2.4261	3.3539	2.6042	1.5021	2.1472	2.1195	2.1572	1.3335	2.1205	2.1112	1.5034	2.3954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	123.044	C1	H11	H13	115.567
C2	C1	C3	119.172	C2	C1	H11	118.201
C3	C1	H11	122.052	C4	H13	H8	124.199
C4	H13	H11	113.113	O5	C4	N6	107.080
O5	C4	H7	109.030	O5	C4	H13	110.466
N6	C4	H7	110.165	N6	C4	H13	108.446
H7	C4	H13	111.552	H8	H13	H11	122.527
H9	H8	H10	116.461	H9	H8	H13	122.194
H10	H8	H13	121.294	H12	H11	H13	121.389

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: mPW1PW91/3-21G

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	-0.812
2	H	0.340
3	H	0.338
4	C	-0.649
5	H	0.236
6	H	0.261
7	H	0.215
8	C	-0.424
9	H	0.205
10	H	0.222
11	C	0.672
12	O	-0.519
13	C	-0.085

	x	y	z	Total
	0.056	3.241	1.130	3.432
CHELPG
AIM
ESP

<r²>	162.852
(<r²>)^1/2	12.761

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)