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	hartrees
Energy at 0K	-284.898830
Energy at 298.15K	-284.906980
HF Energy	-284.898830
Nuclear repulsion energy	228.393271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3709	3513	43.02
2	A	3576	3387	49.38
3	A	3242	3070	5.85
4	A	3157	2991	2.03
5	A	3155	2988	8.03
6	A	3141	2975	3.75
7	A	3071	2909	6.39
8	A	1794	1699	177.16
9	A	1746	1654	61.19
10	A	1670	1582	105.66
11	A	1557	1474	19.89
12	A	1538	1457	13.82
13	A	1502	1423	10.63
14	A	1465	1388	16.83
15	A	1400	1326	113.93
16	A	1271	1204	56.07
17	A	1123	1064	1.87
18	A	1116	1057	3.02
19	A	1061	1005	5.61
20	A	1007	953	46.69
21	A	967	916	4.11
22	A	860	814	52.57
23	A	748	709	4.75
24	A	704	667	69.62
25	A	616	583	84.86
26	A	587	556	5.31
27	A	523	496	69.72
28	A	512	485	90.12
29	A	387	366	6.39
30	A	338	321	6.61
31	A	282	267	12.29
32	A	145	137	0.52
33	A	80	76	7.59

Atom	x (Å)	y (Å)	z (Å)
N1	-1.670	0.746	0.233
H2	-2.652	0.496	0.186
H3	-1.412	1.651	0.604
C4	1.655	-0.918	0.221
H5	1.520	-1.342	1.222
H6	1.424	-1.710	-0.498
H7	2.691	-0.596	0.103
C8	1.063	1.484	-0.230
H9	0.344	2.263	-0.461
H10	2.109	1.774	-0.232
C11	-0.744	-0.222	-0.035
O12	-1.044	-1.395	-0.288
C13	0.696	0.224	0.001

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0141	1.0113	3.7183	3.9392	4.0178	4.5649	2.8689	2.6154	3.9439	1.3665	2.2910	2.4346
H2	1.0141		1.7453	4.5329	4.6751	4.6848	5.4539	3.8667	3.5380	4.9470	2.0507	2.5269	3.3644
H3	1.0113	1.7453		4.0189	4.2353	4.5336	4.7046	2.6172	2.1430	3.6208	2.0883	3.1951	2.6161
C4	3.7183	4.5329	4.0189		1.0956	1.0939	1.0916	2.5142	3.5071	2.7674	2.5103	2.7874	1.5072
H5	3.9392	4.6751	4.2353	1.0956		1.7615	1.7832	3.2094	4.1484	3.4885	2.8211	2.9761	2.1500
H6	4.0178	4.6848	4.5336	1.0939	1.7615		1.7911	3.2252	4.1171	3.5606	2.6700	2.4971	2.1261
H7	4.5649	5.4539	4.7046	1.0916	1.7832	1.7911		2.6616	3.7411	2.4630	3.4576	3.8396	2.1590
C8	2.8689	3.8667	2.6172	2.5142	3.2094	3.2252	2.6616		1.0851	1.0851	2.4921	3.5682	1.3319
H9	2.6154	3.5380	2.1430	3.5071	4.1484	4.1171	3.7411	1.0851		1.8453	2.7453	3.9163	2.1196
H10	3.9439	4.9470	3.6208	2.7674	3.4885	3.5606	2.4630	1.0851	1.8453		3.4867	4.4707	2.1097
C11	1.3665	2.0507	2.0883	2.5103	2.8211	2.6700	3.4576	2.4921	2.7453	3.4867		1.2376	1.5078
O12	2.2910	2.5269	3.1951	2.7874	2.9761	2.4971	3.8396	3.5682	3.9163	4.4707	1.2376		2.3949
C13	2.4346	3.3644	2.6161	1.5072	2.1500	2.1261	2.1590	1.3319	2.1196	2.1097	1.5078	2.3949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	123.158	C1	H11	H13	115.695
C2	C1	C3	119.019	C2	C1	H11	118.198
C3	C1	H11	122.160	C4	H13	H8	124.527
C4	H13	H11	112.735	O5	C4	N6	107.120
O5	C4	H7	109.224	O5	C4	H13	110.381
N6	C4	H7	110.069	N6	C4	H13	108.605
H7	C4	H13	111.350	H8	H13	H11	122.590
H9	H8	H10	116.486	H9	H8	H13	122.224
H10	H8	H13	121.249	H12	H11	H13	121.147

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: M06-2X/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	-0.800
2	H	0.335
3	H	0.330
4	C	-0.576
5	H	0.220
6	H	0.243
7	H	0.197
8	C	-0.382
9	H	0.190
10	H	0.209
11	C	0.662
12	O	-0.512
13	C	-0.115

	x	y	z	Total
	0.103	3.303	1.051	3.468
CHELPG
AIM
ESP

	x	y	z
x	7.294	0.375	-0.100
y	0.375	8.758	-0.162
z	-0.100	-0.162	3.408

<r²>	163.417
(<r²>)^1/2	12.783

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: M06-2X/3-21G*

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)