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	hartrees
Energy at 0K	-283.854641
Energy at 298.15K	-283.862643
HF Energy	-283.265303
Nuclear repulsion energy	226.454797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3705	3536	32.11
2	A	3565	3402	40.46
3	A	3253	3105	12.70
4	A	3178	3034	7.73
5	A	3171	3027	4.66
6	A	3155	3011	13.71
7	A	3088	2948	11.45
8	A	1726	1648	153.31
9	A	1693	1616	22.67
10	A	1666	1590	44.38
11	A	1597	1525	12.84
12	A	1578	1506	9.83
13	A	1517	1448	8.85
14	A	1484	1417	15.47
15	A	1373	1310	100.04
16	A	1264	1207	66.59
17	A	1132	1080	1.71
18	A	1107	1056	4.36
19	A	1070	1021	5.33
20	A	956	913	23.99
21	A	949	906	25.56
22	A	833	795	19.25
23	A	723	690	5.85
24	A	693	661	30.36
25	A	596	569	43.56
26	A	576	549	3.39
27	A	518	495	6.99
28	A	442	422	229.17
29	A	377	360	21.83
30	A	319	305	4.92
31	A	268	256	13.88
32	A	146	139	0.25
33	A	80	76	4.38

Atom	x (Å)	y (Å)	z (Å)
N1	-1.666	0.770	0.274
H2	-2.651	0.532	0.247
H3	-1.384	1.636	0.710
C4	1.662	-0.933	0.262
H5	1.553	-1.303	1.288
H6	1.418	-1.756	-0.417
H7	2.697	-0.616	0.105
C8	1.089	1.472	-0.275
H9	0.378	2.252	-0.534
H10	2.138	1.753	-0.282
C11	-0.753	-0.215	-0.040
O12	-1.085	-1.388	-0.340
C13	0.701	0.213	0.000

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0131	1.0101	3.7385	3.9605	4.0457	4.5814	2.8958	2.6513	3.9690	1.3798	2.3178	2.4469
H2	1.0131		1.7435	4.5543	4.7029	4.7142	5.4714	3.8911	3.5696	4.9706	2.0596	2.5457	3.3753
H3	1.0101	1.7435		4.0099	4.1949	4.5416	4.7005	2.6669	2.2432	3.6613	2.0950	3.2156	2.6220
C4	3.7385	4.5543	4.0099		1.0962	1.0940	1.0942	2.5297	3.5249	2.7821	2.5368	2.8485	1.5187
H5	3.9605	4.7029	4.1949	1.0962		1.7692	1.7834	3.2182	4.1636	3.4854	2.8740	3.1011	2.1641
H6	4.0457	4.7142	4.5416	1.0940	1.7692		1.7913	3.2473	4.1417	3.5848	2.6881	2.5307	2.1366
H7	4.5814	5.4714	4.7005	1.0942	1.7834	1.7913		2.6627	3.7432	2.4649	3.4760	3.8858	2.1645
C8	2.8958	3.8911	2.6669	2.5297	3.2182	3.2473	2.6627		1.0867	1.0866	2.5084	3.5928	1.3455
H9	2.6513	3.5696	2.2432	3.5249	4.1636	4.1417	3.7432	1.0867		1.8469	2.7583	3.9274	2.1319
H10	3.9690	4.9706	3.6613	2.7821	3.4854	3.5848	2.4649	1.0866	1.8469		3.5059	4.5012	2.1257
C11	1.3798	2.0596	2.0950	2.5368	2.8740	2.6881	3.4760	2.5084	2.7583	3.5059		1.2556	1.5155
O12	2.3178	2.5457	3.2156	2.8485	3.1011	2.5307	3.8858	3.5928	3.9274	4.5012	1.2556		2.4224
C13	2.4469	3.3753	2.6220	1.5187	2.1641	2.1366	2.1645	1.3455	2.1319	2.1257	1.5155	2.4224

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	123.098	C1	H11	H13	115.291
C2	C1	C3	119.022	C2	C1	H11	117.985
C3	C1	H11	121.700	C4	H13	H8	123.960
C4	H13	H11	113.453	O5	C4	N6	107.755
O5	C4	H7	109.011	O5	C4	H13	110.669
N6	C4	H7	109.893	N6	C4	H13	108.633
H7	C4	H13	110.825	H8	H13	H11	122.396
H9	H8	H10	116.380	H9	H8	H13	122.092
H10	H8	H13	121.496	H12	H11	H13	121.611

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: MP2/3-21G

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	ESP
1	N	-0.782	-0.981
2	H	0.324	0.420
3	H	0.324	0.412
4	C	-0.558	-0.273
5	H	0.201	0.088
6	H	0.226	0.098
7	H	0.185	0.099
8	C	-0.362	-0.474
9	H	0.178	0.173
10	H	0.190	0.203
11	C	0.633	0.722
12	O	-0.476	-0.488
13	C	-0.083	0.002

	x	y	z	Total
	0.018	2.975	1.239	3.223
CHELPG
AIM
ESP	0.042	2.964	1.232	3.211

	x	y	z
x	7.357	0.330	-0.116
y	0.330	8.486	-0.071
z	-0.116	-0.071	3.515

<r²>	166.228
(<r²>)^1/2	12.893

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: MP2/3-21G

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)