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	hartrees
Energy at 0K	-282.816383
Energy at 298.15K	-282.823702
Nuclear repulsion energy	223.901075

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3833	3384	0.67
2	A	3625	3201	5.34
3	A	3569	3152	0.34
4	A	3517	3105	0.32
5	A	3481	3074	0.22
6	A	3415	3016	18.03
7	A	3327	2938	0.34
8	A	1876	1657	34.38
9	A	1847	1631	27.99
10	A	1750	1545	13.76
11	A	1669	1474	6.22
12	A	1653	1460	5.69
13	A	1568	1385	3.42
14	A	1544	1364	1.49
15	A	1427	1260	38.11
16	A	1288	1137	60.52
17	A	1160	1024	10.13
18	A	1150	1016	11.67
19	A	1088	961	3.27
20	A	1015	896	3.32
21	A	1000	883	19.51
22	A	822	726	6.07
23	A	767	677	12.57
24	A	683	603	79.81
25	A	617	544	92.57
26	A	538	475	32.65
27	A	500	442	25.25
28	A	414	365	35.88
29	A	357	315	2.20
30	A	312	275	9.75
31	A	234	207	1.98
32	A	101	89	0.43
33	A	74	66	1.79

Atom	x (Å)	y (Å)	z (Å)
N1	-1.709	0.812	0.163
H2	-2.652	0.431	0.406
H3	-1.408	1.504	0.885
C4	1.732	-0.895	0.226
H5	1.704	-1.230	1.274
H6	1.485	-1.763	-0.403
H7	2.748	-0.555	-0.006
C8	1.051	1.489	-0.241
H9	0.297	2.256	-0.443
H10	2.096	1.813	-0.257
C11	-0.750	-0.256	-0.032
O12	-1.098	-1.432	-0.281
C13	0.713	0.215	-0.012

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0460	1.0449	3.8413	4.1296	4.1416	4.6655	2.8703	2.5451	3.9574	1.4485	2.3680	2.5010
H2	1.0460		1.7114	4.5839	4.7425	4.7529	5.5058	3.9054	3.5709	4.9903	2.0700	2.5225	3.3986
H3	1.0449	1.7114		4.0059	4.1606	4.5501	4.7235	2.7043	2.2883	3.6988	2.0908	3.1748	2.6394
C4	3.8413	4.5839	4.0059		1.1010	1.0999	1.0970	2.5229	3.5261	2.7754	2.5751	2.9243	1.5249
H5	4.1296	4.7425	4.1606	1.1010		1.7735	1.7850	3.1804	4.1327	3.4297	2.9453	3.2109	2.1733
H6	4.1416	4.7529	4.5501	1.0999	1.7735		1.7925	3.2851	4.1912	3.6315	2.7209	2.6069	2.1591
H7	4.6655	5.5058	4.7235	1.0970	1.7850	1.7925		2.6676	3.7553	2.4696	3.5110	3.9548	2.1760
C8	2.8703	3.9054	2.7043	2.5229	3.1804	3.2851	2.6676		1.0941	1.0948	2.5160	3.6269	1.3378
H9	2.5451	3.5709	2.2883	3.5261	4.1327	4.1912	3.7553	1.0941		1.8620	2.7522	3.9469	2.1272
H10	3.9574	4.9903	3.6988	2.7754	3.4297	3.6315	2.4696	1.0948	1.8620		3.5260	4.5542	2.1280
C11	1.4485	2.0700	2.0908	2.5751	2.9453	2.7209	3.5110	2.5160	2.7522	3.5260		1.2522	1.5370
O12	2.3680	2.5225	3.1748	2.9243	3.2109	2.6069	3.9548	3.6269	3.9469	4.5542	1.2522		2.4632
C13	2.5010	3.3986	2.6394	1.5249	2.1733	2.1591	2.1760	1.3378	2.1272	2.1280	1.5370	2.4632

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.349	C1	H11	H13	113.764
C2	C1	C3	109.865	C2	C1	H11	111.135
C3	C1	H11	112.969	C4	H13	H8	123.470
C4	H13	H11	114.494	O5	C4	N6	107.378
O5	C4	H7	108.597	O5	C4	H13	110.673
N6	C4	H7	109.354	N6	C4	H13	109.622
H7	C4	H13	111.129	H8	H13	H11	121.981
H9	H8	H10	116.567	H9	H8	H13	121.701
H10	H8	H13	121.719	H12	H11	H13	123.723

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B1B95/STO-3G

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	-0.382
2	H	0.192
3	H	0.190
4	C	-0.234
5	H	0.086
6	H	0.096
7	H	0.084
8	C	-0.167
9	H	0.085
10	H	0.081
11	C	0.199
12	O	-0.217
13	C	-0.013

	x	y	z	Total
	0.228	1.499	1.679	2.263
CHELPG
AIM
ESP

	x	y	z
x	5.117	0.440	-0.155
y	0.440	6.061	0.031
z	-0.155	0.031	1.950

<r²>	167.672
(<r²>)^1/2	12.949

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)