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	hartrees
Energy at 0K	-286.527088
Energy at 298.15K	-286.534968
Nuclear repulsion energy	229.057734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3754	3609	34.22
2	A	3618	3479	34.60
3	A	3241	3116	8.96
4	A	3156	3034	5.33
5	A	3151	3030	10.35
6	A	3117	2997	9.69
7	A	3048	2930	14.36
8	A	1795	1726	253.99
9	A	1710	1644	26.13
10	A	1607	1545	108.63
11	A	1485	1427	20.64
12	A	1462	1406	9.20
13	A	1441	1386	14.67
14	A	1404	1350	18.40
15	A	1380	1327	62.18
16	A	1235	1188	42.78
17	A	1095	1053	1.88
18	A	1065	1024	0.74
19	A	1013	974	5.51
20	A	959	922	12.39
21	A	951	914	23.56
22	A	831	799	13.69
23	A	750	721	4.94
24	A	683	657	9.44
25	A	578	555	17.19
26	A	565	544	4.25
27	A	504	484	3.98
28	A	378	363	70.08
29	A	358	344	107.63
30	A	325	312	3.91
31	A	262	252	13.25
32	A	163	157	0.26
33	A	73	71	3.88

Atom	x (Å)	y (Å)	z (Å)
N1	-1.667	0.745	0.257
H2	-2.624	0.440	0.329
H3	-1.395	1.560	0.777
C4	1.665	-0.905	0.262
H5	1.524	-1.319	1.267
H6	1.482	-1.726	-0.437
H7	2.698	-0.565	0.166
C8	1.061	1.461	-0.271
H9	0.340	2.232	-0.524
H10	2.107	1.754	-0.286
C11	-0.746	-0.221	-0.041
O12	-1.065	-1.355	-0.345
C13	0.696	0.206	-0.004

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0070	1.0046	3.7177	3.9317	4.0625	4.5582	2.8697	2.6165	3.9441	1.3672	2.2653	2.4371
H2	1.0070		1.7218	4.4954	4.6020	4.7055	5.4188	3.8709	3.5663	4.9485	2.0254	2.4709	3.3445
H3	1.0046	1.7218		3.9633	4.1294	4.5339	4.6527	2.6726	2.2696	3.6651	2.0646	3.1407	2.6105
C4	3.7177	4.4954	3.9633		1.0961	1.0938	1.0923	2.4998	3.4948	2.7508	2.5240	2.8326	1.4983
H5	3.9317	4.6020	4.1294	1.0961		1.7524	1.7781	3.2112	4.1494	3.4923	2.8402	3.0495	2.1510
H6	4.0625	4.7055	4.5339	1.0938	1.7524		1.7865	3.2198	4.1209	3.5395	2.7180	2.5762	2.1312
H7	4.5582	5.4188	4.6527	1.0923	1.7781	1.7865		2.6414	3.7230	2.4354	3.4672	3.8794	2.1526
C8	2.8697	3.8709	2.6726	2.4998	3.2112	3.2198	2.6414		1.0854	1.0862	2.4793	3.5298	1.3344
H9	2.6165	3.5663	2.2696	3.4948	4.1494	4.1209	3.7230	1.0854		1.8465	2.7248	3.8563	2.1213
H10	3.9441	4.9485	3.6651	2.7508	3.4923	3.5395	2.4354	1.0862	1.8465		3.4781	4.4424	2.1136
C11	1.3672	2.0254	2.0646	2.5240	2.8402	2.7180	3.4672	2.4793	2.7248	3.4781		1.2169	1.5037
O12	2.2653	2.4709	3.1407	2.8326	3.0495	2.5762	3.8794	3.5298	3.8563	4.4424	1.2169		2.3780
C13	2.4371	3.3445	2.6105	1.4983	2.1510	2.1312	2.1526	1.3344	2.1213	2.1136	1.5037	2.3780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.367	C1	H11	H13	116.103
C2	C1	C3	117.729	C2	C1	H11	116.275
C3	C1	H11	120.261	C4	H13	H8	123.787
C4	H13	H11	114.444	O5	C4	N6	106.298
O5	C4	H7	108.682	O5	C4	H13	111.062
N6	C4	H7	109.612	N6	C4	H13	109.620
H7	C4	H13	111.427	H8	H13	H11	121.640
H9	H8	H10	116.482	H9	H8	H13	122.150
H10	H8	H13	121.325	H12	H11	H13	121.516

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.581
2	H	0.282
3	H	0.279
4	C	-0.523
5	H	0.156
6	H	0.181
7	H	0.140
8	C	-0.442
9	H	0.139
10	H	0.143
11	C	0.394
12	O	-0.378
13	C	0.210

	x	y	z	Total
	0.241	2.848	1.466	3.212
CHELPG
AIM
ESP

	x	y	z
x	8.772	0.344	-0.180
y	0.344	9.647	-0.210
z	-0.180	-0.210	4.968

<r²>	162.625
(<r²>)^1/2	12.752

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)