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	hartrees
Energy at 0K	-286.547515
Energy at 298.15K	-286.555284
HF Energy	-286.547515
Nuclear repulsion energy	228.134232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3659	3608	23.78
2	A	3525	3476	19.44
3	A	3169	3125	14.28
4	A	3087	3044	11.02
5	A	3076	3033	15.40
6	A	3042	2999	13.01
7	A	2985	2943	19.03
8	A	1701	1677	251.31
9	A	1650	1627	41.01
10	A	1578	1556	82.65
11	A	1465	1445	16.00
12	A	1442	1422	8.43
13	A	1416	1396	8.96
14	A	1379	1360	4.05
15	A	1338	1319	83.75
16	A	1207	1190	49.82
17	A	1066	1052	5.04
18	A	1048	1033	0.16
19	A	1003	989	5.44
20	A	937	924	4.35
21	A	918	905	33.80
22	A	800	789	9.57
23	A	728	717	5.04
24	A	665	656	6.11
25	A	565	557	13.02
26	A	554	546	3.33
27	A	500	493	2.79
28	A	375	369	8.03
29	A	338	333	156.46
30	A	311	307	4.47
31	A	264	260	12.93
32	A	164	162	0.22
33	A	62	61	4.35

Atom	x (Å)	y (Å)	z (Å)
N1	-1.666	0.754	0.283
H2	-2.629	0.463	0.351
H3	-1.381	1.567	0.804
C4	1.666	-0.911	0.283
H5	1.482	-1.343	1.274
H6	1.525	-1.723	-0.437
H7	2.699	-0.558	0.237
C8	1.078	1.452	-0.294
H9	0.363	2.224	-0.563
H10	2.129	1.730	-0.311
C11	-0.750	-0.216	-0.043
O12	-1.086	-1.348	-0.373
C13	0.699	0.200	-0.005

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0087	1.0067	3.7247	3.9094	4.1027	4.5578	2.8897	2.6444	3.9630	1.3735	2.2769	2.4456
H2	1.0087		1.7269	4.5102	4.5839	4.7596	5.4263	3.8910	3.5903	4.9682	2.0367	2.4870	3.3573
H3	1.0067	1.7269		3.9623	4.1091	4.5617	4.6353	2.6961	2.3112	3.6866	2.0729	3.1575	2.6172
C4	3.7247	4.5102	3.9623		1.0963	1.0943	1.0926	2.5026	3.4986	2.7467	2.5351	2.8625	1.5013
H5	3.9094	4.5839	4.1091	1.0963		1.7535	1.7810	3.2297	4.1645	3.5177	2.8258	3.0506	2.1517
H6	4.1027	4.7596	4.5617	1.0943	1.7535		1.7860	3.2090	4.1158	3.5076	2.7566	2.6381	2.1371
H7	4.5578	5.4263	4.6353	1.0926	1.7810	1.7860		2.6361	3.7194	2.4212	3.4771	3.9141	2.1527
C8	2.8897	3.8910	2.6961	2.5026	3.2297	3.2090	2.6361		1.0859	1.0869	2.4874	3.5393	1.3393
H9	2.6444	3.5903	2.3112	3.4986	4.1645	4.1158	3.7194	1.0859		1.8504	2.7316	3.8589	2.1255
H10	3.9630	4.9682	3.6866	2.7467	3.5177	3.5076	2.4212	1.0869	1.8504		3.4853	4.4509	2.1164
C11	1.3735	2.0367	2.0729	2.5351	2.8258	2.7566	3.4771	2.4874	2.7316	3.4853		1.2256	1.5080
O12	2.2769	2.4870	3.1575	2.8625	3.0506	2.6381	3.9141	3.5393	3.8589	4.4509	1.2256		2.3910
C13	2.4456	3.3573	2.6172	1.5013	2.1517	2.1371	2.1527	1.3393	2.1255	2.1164	1.5080	2.3910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	121.873	C1	H11	H13	116.446
C2	C1	C3	117.022	C2	C1	H11	115.819
C3	C1	H11	119.570	C4	H13	H8	123.329
C4	H13	H11	114.939	O5	C4	N6	106.483
O5	C4	H7	108.858	O5	C4	H13	110.866
N6	C4	H7	109.496	N6	C4	H13	109.781
H7	C4	H13	111.234	H8	H13	H11	121.606
H9	H8	H10	116.778	H9	H8	H13	122.069
H10	H8	H13	121.094	H12	H11	H13	121.680

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B97D3/cc-pVTZ

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	-0.195
2	H	0.146
3	H	0.152
4	C	-0.238
5	H	0.087
6	H	0.110
7	H	0.079
8	C	-0.270
9	H	0.098
10	H	0.101
11	C	0.205
12	O	-0.323
13	C	0.049

	x	y	z	Total
	0.289	2.875	1.498	3.255
CHELPG
AIM
ESP

	x	y	z
x	9.879	0.304	-0.232
y	0.304	10.659	-0.175
z	-0.232	-0.175	5.944

<r²>	164.283
(<r²>)^1/2	12.817

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B97D3/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)