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	hartrees
Energy at 0K	-286.544731
Energy at 298.15K	-286.552438
HF Energy	-286.544731
Nuclear repulsion energy	228.111305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3664	3616	27.25
2	A	3529	3483	20.52
3	A	3163	3122	13.27
4	A	3082	3042	10.75
5	A	3070	3030	14.92
6	A	3036	2997	11.90
7	A	2979	2940	18.91
8	A	1696	1674	284.49
9	A	1645	1624	48.04
10	A	1578	1557	86.65
11	A	1465	1446	16.18
12	A	1442	1424	8.77
13	A	1416	1398	9.15
14	A	1378	1360	3.88
15	A	1336	1319	86.54
16	A	1204	1189	53.69
17	A	1063	1049	4.20
18	A	1045	1032	0.10
19	A	1002	989	6.36
20	A	936	924	4.28
21	A	917	906	35.75
22	A	798	787	8.78
23	A	727	718	4.34
24	A	665	656	5.36
25	A	565	558	10.23
26	A	556	548	3.79
27	A	499	492	3.34
28	A	373	369	3.60
29	A	308	304	18.27
30	A	305	301	136.62
31	A	260	256	21.82
32	A	163	161	0.24
33	A	61	60	4.32

Atom	x (Å)	y (Å)	z (Å)
N1	-1.663	0.748	0.304
H2	-2.632	0.471	0.352
H3	-1.378	1.575	0.803
C4	1.665	-0.912	0.295
H5	1.472	-1.339	1.286
H6	1.535	-1.726	-0.423
H7	2.697	-0.556	0.258
C8	1.080	1.447	-0.306
H9	0.368	2.219	-0.582
H10	2.131	1.724	-0.325
C11	-0.750	-0.215	-0.045
O12	-1.089	-1.340	-0.390
C13	0.699	0.198	-0.006

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0092	1.0071	3.7188	3.8921	4.1083	4.5515	2.8961	2.6601	3.9681	1.3718	2.2741	2.4452
H2	1.0092		1.7309	4.5143	4.5817	4.7741	5.4284	3.8948	3.5962	4.9720	2.0418	2.4921	3.3617
H3	1.0071	1.7309		3.9627	4.1051	4.5707	4.6315	2.7000	2.3199	3.6893	2.0780	3.1633	2.6204
C4	3.7188	4.5143	3.9627		1.0963	1.0943	1.0926	2.5034	3.5005	2.7476	2.5368	2.8702	1.5017
H5	3.8921	4.5817	4.1051	1.0963		1.7542	1.7806	3.2329	4.1678	3.5232	2.8244	3.0614	2.1519
H6	4.1083	4.7741	4.5707	1.0943	1.7542		1.7850	3.2082	4.1176	3.5031	2.7659	2.6524	2.1393
H7	4.5515	5.4284	4.6315	1.0926	1.7806	1.7850		2.6357	3.7196	2.4209	3.4780	3.9208	2.1521
C8	2.8961	3.8948	2.7000	2.5034	3.2329	3.2082	2.6357		1.0861	1.0870	2.4861	3.5328	1.3397
H9	2.6601	3.5962	2.3199	3.5005	4.1678	4.1176	3.7196	1.0861		1.8494	2.7318	3.8506	2.1274
H10	3.9681	4.9720	3.6893	2.7476	3.5232	3.5031	2.4209	1.0870	1.8494		3.4844	4.4455	2.1167
C11	1.3718	2.0418	2.0780	2.5368	2.8244	2.7659	3.4780	2.4861	2.7318	3.4844		1.2247	1.5078
O12	2.2741	2.4921	3.1633	2.8702	3.0614	2.6524	3.9208	3.5328	3.8506	4.4455	1.2247		2.3900
C13	2.4452	3.3617	2.6204	1.5017	2.1519	2.1393	2.1521	1.3397	2.1274	2.1167	1.5078	2.3900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	121.744	C1	H11	H13	116.598
C2	C1	C3	117.002	C2	C1	H11	115.984
C3	C1	H11	119.739	C4	H13	H8	123.323
C4	H13	H11	115.019	O5	C4	N6	106.508
O5	C4	H7	108.819	O5	C4	H13	110.878
N6	C4	H7	109.424	N6	C4	H13	109.911
H7	C4	H13	111.179	H8	H13	H11	121.546
H9	H8	H10	116.687	H9	H8	H13	122.193
H10	H8	H13	121.060	H12	H11	H13	121.657

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.675
2	H	0.180
3	H	0.196
4	C	-0.377
5	H	0.135
6	H	0.141
7	H	0.098
8	C	-0.576
9	H	0.131
10	H	0.118
11	C	0.970
12	O	-0.781
13	C	0.439

	x	y	z	Total
	0.428	2.977	1.483	3.353
CHELPG
AIM
ESP

	x	y	z
x	10.598	0.317	-0.226
y	0.317	11.365	-0.108
z	-0.226	-0.108	7.047

<r²>	164.601
(<r²>)^1/2	12.830

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)