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	hartrees
Energy at 0K	-286.542512
Energy at 298.15K	-286.550429
HF Energy	-286.542512
Nuclear repulsion energy	228.531838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3789	3609	46.98
2	A	3647	3474	44.00
3	A	3269	3114	9.17
4	A	3179	3028	6.10
5	A	3170	3020	12.72
6	A	3143	2994	10.21
7	A	3069	2924	17.24
8	A	1806	1720	340.61
9	A	1733	1651	64.22
10	A	1631	1554	128.74
11	A	1507	1436	22.94
12	A	1480	1410	12.10
13	A	1464	1394	14.78
14	A	1432	1364	15.86
15	A	1402	1335	78.58
16	A	1249	1190	51.31
17	A	1105	1053	0.47
18	A	1079	1028	0.62
19	A	1028	980	6.53
20	A	970	924	11.45
21	A	963	917	37.91
22	A	823	784	16.18
23	A	758	722	3.58
24	A	684	652	7.46
25	A	583	555	11.80
26	A	571	544	8.85
27	A	515	491	3.26
28	A	384	366	19.33
29	A	339	323	182.93
30	A	317	302	6.09
31	A	261	249	17.44
32	A	170	162	0.51
33	A	75	72	4.30

Atom	x (Å)	y (Å)	z (Å)
N1	-1.675	0.745	0.270
H2	-2.628	0.422	0.353
H3	-1.406	1.533	0.837
C4	1.669	-0.910	0.277
H5	1.486	-1.343	1.266
H6	1.532	-1.714	-0.450
H7	2.700	-0.553	0.233
C8	1.072	1.456	-0.282
H9	0.356	2.226	-0.553
H10	2.121	1.737	-0.288
C11	-0.746	-0.209	-0.055
O12	-1.076	-1.345	-0.359
C13	0.700	0.203	-0.009

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0094	1.0070	3.7304	3.9169	4.1047	4.5638	2.8909	2.6452	3.9629	1.3700	2.2635	2.4521
H2	1.0094		1.7205	4.4987	4.5688	4.7445	5.4179	3.8937	3.6025	4.9689	2.0256	2.4571	3.3548
H3	1.0070	1.7205		3.9662	4.1008	4.5638	4.6451	2.7202	2.3492	3.7076	2.0646	3.1341	2.6306
C4	3.7304	4.4987	3.9662		1.0949	1.0933	1.0923	2.5031	3.4992	2.7440	2.5367	2.8516	1.5023
H5	3.9169	4.5688	4.1008	1.0949		1.7563	1.7787	3.2254	4.1622	3.5077	2.8314	3.0348	2.1523
H6	4.1047	4.7445	4.5638	1.0933	1.7563		1.7833	3.2082	4.1134	3.5055	2.7593	2.6358	2.1357
H7	4.5638	5.4179	4.6451	1.0923	1.7787	1.7833		2.6372	3.7201	2.4195	3.4760	3.9042	2.1519
C8	2.8909	3.8937	2.7202	2.5031	3.2254	3.2082	2.6372		1.0857	1.0859	2.4762	3.5316	1.3357
H9	2.6452	3.6025	2.3492	3.4992	4.1622	4.1134	3.7201	1.0857		1.8505	2.7189	3.8530	2.1233
H10	3.9629	4.9689	3.7076	2.7440	3.5077	3.5055	2.4195	1.0859	1.8505		3.4734	4.4422	2.1098
C11	1.3700	2.0256	2.0646	2.5367	2.8314	2.7593	3.4760	2.4762	2.7189	3.4734		1.2221	1.5049
O12	2.2635	2.4571	3.1341	2.8516	3.0348	2.6358	3.9042	3.5316	3.8530	4.4422	1.2221		2.3826
C13	2.4521	3.3548	2.6306	1.5023	2.1523	2.1357	2.1519	1.3357	2.1233	2.1098	1.5049	2.3826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	121.572	C1	H11	H13	116.989
C2	C1	C3	117.141	C2	C1	H11	115.885
C3	C1	H11	119.816	C4	H13	H8	123.663
C4	H13	H11	115.031	O5	C4	N6	106.761
O5	C4	H7	108.828	O5	C4	H13	110.954
N6	C4	H7	109.370	N6	C4	H13	109.735
H7	C4	H13	111.083	H8	H13	H11	121.199
H9	H8	H10	116.885	H9	H8	H13	122.200
H10	H8	H13	120.853	H12	H11	H13	121.437

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: wB97X-D/cc-pVDZ

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	-0.598
2	H	0.337
3	H	0.312
4	C	-0.653
5	H	0.176
6	H	0.201
7	H	0.155
8	C	-0.382
9	H	0.153
10	H	0.157
11	C	0.331
12	O	-0.519
13	C	0.329

	x	y	z	Total
	0.485	3.241	1.564	3.631
CHELPG
AIM
ESP

	x	y	z
x	9.077	0.494	-0.172
y	0.494	10.588	-0.129
z	-0.172	-0.129	6.270

<r²>	164.014
(<r²>)^1/2	12.807

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)