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	hartrees
Energy at 0K	-285.035200
Energy at 298.15K	-285.043251
Nuclear repulsion energy	227.794648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3666	3526	26.74
2	A	3536	3402	26.31
3	A	3235	3112	13.23
4	A	3159	3039	5.26
5	A	3149	3029	8.54
6	A	3111	2993	11.49
7	A	3054	2938	13.16
8	A	1732	1666	113.97
9	A	1705	1640	110.92
10	A	1662	1599	61.67
11	A	1558	1499	18.36
12	A	1538	1480	12.42
13	A	1495	1439	7.03
14	A	1456	1400	20.51
15	A	1366	1315	102.35
16	A	1258	1210	55.82
17	A	1111	1069	3.89
18	A	1103	1061	3.23
19	A	1058	1018	3.87
20	A	967	931	42.19
21	A	948	912	8.59
22	A	842	810	37.14
23	A	729	701	5.93
24	A	689	663	44.04
25	A	601	578	46.29
26	A	574	552	3.88
27	A	517	498	36.83
28	A	495	476	164.97
29	A	382	368	5.91
30	A	329	317	6.82
31	A	279	268	12.15
32	A	143	138	0.33
33	A	78	75	6.61

Atom	x (Å)	y (Å)	z (Å)
N1	-1.669	0.756	0.244
H2	-2.652	0.510	0.200
H3	-1.405	1.657	0.619
C4	1.655	-0.926	0.230
H5	1.579	-1.290	1.262
H6	1.370	-1.755	-0.425
H7	2.689	-0.629	0.034
C8	1.080	1.476	-0.240
H9	0.371	2.262	-0.476
H10	2.129	1.756	-0.246
C11	-0.747	-0.217	-0.035
O12	-1.064	-1.389	-0.301
C13	0.698	0.219	0.000

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0139	1.0111	3.7264	3.9724	3.9993	4.5779	2.8832	2.6364	3.9579	1.3695	2.2951	2.4398
H2	1.0139		1.7454	4.5406	4.7193	4.6582	5.4632	3.8802	3.5591	4.9604	2.0521	2.5258	3.3683
H3	1.0111	1.7454		4.0242	4.2437	4.5209	4.7256	2.6360	2.1729	3.6395	2.0914	3.2007	2.6222
C4	3.7264	4.5406	4.0242		1.0974	1.0941	1.0926	2.5138	3.5090	2.7651	2.5193	2.8093	1.5100
H5	3.9724	4.7193	4.2437	1.0974		1.7623	1.7822	3.1866	4.1354	3.4436	2.8721	3.0726	2.1555
H6	3.9993	4.6582	4.5209	1.0941	1.7623		1.7933	3.2490	4.1400	3.5969	2.6462	2.4647	2.1279
H7	4.5779	5.4632	4.7256	1.0926	1.7822	1.7933		2.6631	3.7406	2.4665	3.4613	3.8434	2.1641
C8	2.8832	3.8802	2.6360	2.5138	3.1866	3.2490	2.6631		1.0852	1.0852	2.4993	3.5790	1.3357
H9	2.6364	3.5591	2.1729	3.5090	4.1354	4.1400	3.7406	1.0852		1.8432	2.7552	3.9272	2.1238
H10	3.9579	4.9604	3.6395	2.7651	3.4436	3.5969	2.4665	1.0852	1.8432		3.4941	4.4822	2.1149
C11	1.3695	2.0521	2.0914	2.5193	2.8721	2.6462	3.4613	2.4993	2.7552	3.4941		1.2431	1.5097
O12	2.2951	2.5258	3.2007	2.8093	3.0726	2.4647	3.8434	3.5790	3.9272	4.4822	1.2431		2.4041
C13	2.4398	3.3683	2.6222	1.5100	2.1555	2.1279	2.1641	1.3357	2.1238	2.1149	1.5097	2.4041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.840	C1	H11	H13	115.771
C2	C1	C3	119.069	C2	C1	H11	118.093
C3	C1	H11	122.208	C4	H13	H8	123.992
C4	H13	H11	113.084	O5	C4	N6	107.057
O5	C4	H7	108.932	O5	C4	H13	110.519
N6	C4	H7	110.185	N6	C4	H13	108.548
H7	C4	H13	111.503	H8	H13	H11	122.774
H9	H8	H10	116.255	H9	H8	H13	122.288
H10	H8	H13	121.415	H12	H11	H13	121.390

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B3LYP/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	-0.762
2	H	0.318
3	H	0.316
4	C	-0.582
5	H	0.209
6	H	0.234
7	H	0.189
8	C	-0.380
9	H	0.177
10	H	0.194
11	C	0.643
12	O	-0.505
13	C	-0.052

	x	y	z	Total
	0.003	3.174	1.085	3.354
CHELPG
AIM
ESP

	x	y	z
x	7.688	0.383	-0.129
y	0.383	8.874	-0.187
z	-0.129	-0.187	3.490

<r²>	164.143
(<r²>)^1/2	12.812

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B3LYP/3-21G*

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)