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	hartrees
Energy at 0K	-286.405883
Energy at 298.15K	-286.414080
Nuclear repulsion energy	228.244097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3785	3610	32.62
2	A	3641	3472	37.04
3	A	3272	3120	16.43
4	A	3184	3036	5.11
5	A	3178	3031	13.10
6	A	3145	2999	11.54
7	A	3070	2928	14.40
8	A	1751	1670	75.61
9	A	1715	1635	239.38
10	A	1672	1595	73.93
11	A	1535	1464	24.38
12	A	1514	1444	11.62
13	A	1489	1421	19.05
14	A	1456	1388	9.14
15	A	1433	1366	93.55
16	A	1275	1216	46.43
17	A	1122	1070	0.54
18	A	1103	1052	3.72
19	A	1052	1004	6.12
20	A	991	945	36.38
21	A	977	932	16.34
22	A	834	795	45.79
23	A	764	729	2.93
24	A	694	662	84.02
25	A	617	588	92.18
26	A	579	552	5.48
27	A	556	530	139.60
28	A	514	490	9.79
29	A	387	369	2.96
30	A	338	322	6.14
31	A	281	268	11.03
32	A	173	165	0.17
33	A	78	74	7.92

Atom	x (Å)	y (Å)	z (Å)
N1	-1.668	0.745	0.268
H2	-2.641	0.496	0.219
H3	-1.411	1.649	0.621
C4	1.658	-0.915	0.245
H5	1.521	-1.334	1.248
H6	1.462	-1.728	-0.459
H7	2.692	-0.584	0.142
C8	1.073	1.468	-0.254
H9	0.364	2.251	-0.503
H10	2.119	1.752	-0.259
C11	-0.741	-0.208	-0.036
O12	-1.068	-1.379	-0.323
C13	0.696	0.207	-0.005

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0063	1.0041	3.7166	3.9307	4.0544	4.5595	2.8822	2.6437	3.9540	1.3638	2.2843	2.4397
H2	1.0063		1.7336	4.5245	4.6616	4.7161	5.4421	3.8687	3.5543	4.9469	2.0425	2.5063	3.3576
H3	1.0041	1.7336		4.0165	4.2295	4.5635	4.6959	2.6402	2.1857	3.6401	2.0812	3.1900	2.6293
C4	3.7166	4.5245	4.0165		1.0952	1.0932	1.0911	2.5042	3.5009	2.7536	2.5164	2.8226	1.4985
H5	3.9307	4.6616	4.2295	1.0952		1.7526	1.7769	3.2111	4.1542	3.4867	2.8341	3.0284	2.1505
H6	4.0544	4.7161	4.5635	1.0932	1.7526		1.7841	3.2262	4.1277	3.5473	2.7095	2.5578	2.1297
H7	4.5595	5.4421	4.6959	1.0911	1.7769	1.7841		2.6438	3.7246	2.4387	3.4583	3.8713	2.1518
C8	2.8822	3.8687	2.6402	2.5042	3.2111	3.2262	2.6438		1.0850	1.0842	2.4801	3.5630	1.3399
H9	2.6437	3.5543	2.1857	3.5009	4.1542	4.1277	3.7246	1.0850		1.8411	2.7364	3.9060	2.1299
H10	3.9540	4.9469	3.6401	2.7536	3.4867	3.5473	2.4387	1.0842	1.8411		3.4753	4.4685	2.1162
C11	1.3638	2.0425	2.0812	2.5164	2.8341	2.7095	3.4583	2.4801	2.7364	3.4753		1.2483	1.4966
O12	2.2843	2.5063	3.1900	2.8226	3.0284	2.5578	3.8713	3.5630	3.9060	4.4685	1.2483		2.3934
C13	2.4397	3.3576	2.6293	1.4985	2.1505	2.1297	2.1518	1.3399	2.1299	2.1162	1.4966	2.3934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	121.910	C1	H11	H13	116.990
C2	C1	C3	119.164	C2	C1	H11	118.255
C3	C1	H11	122.302	C4	H13	H8	123.746
C4	H13	H11	114.320	O5	C4	N6	106.428
O5	C4	H7	108.730	O5	C4	H13	111.069
N6	C4	H7	109.528	N6	C4	H13	109.527
H7	C4	H13	111.424	H8	H13	H11	121.842
H9	H8	H10	116.150	H9	H8	H13	122.539
H10	H8	H13	121.259	H12	H11	H13	121.100

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B1B95/6-31G

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	-0.757
2	H	0.349
3	H	0.339
4	C	-0.500
5	H	0.177
6	H	0.205
7	H	0.153
8	C	-0.354
9	H	0.145
10	H	0.157
11	C	0.471
12	O	-0.463
13	C	0.076

	x	y	z	Total
	0.320	3.512	1.178	3.718
CHELPG
AIM
ESP

	x	y	z
x	8.002	0.444	-0.149
y	0.444	9.447	-0.137
z	-0.149	-0.137	3.980

<r²>	163.716
(<r²>)^1/2	12.795

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B1B95/6-31G

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)