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	hartrees
Energy at 0K	-286.635950
Energy at 298.15K	-286.643862
Nuclear repulsion energy	228.669585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3726	3595	29.67
2	A	3594	3469	31.19
3	A	3230	3117	10.00
4	A	3149	3039	5.58
5	A	3133	3023	11.57
6	A	3099	2991	11.43
7	A	3039	2933	14.89
8	A	1779	1717	245.71
9	A	1702	1643	26.75
10	A	1611	1554	96.59
11	A	1492	1440	17.26
12	A	1470	1419	7.59
13	A	1449	1398	10.59
14	A	1408	1358	3.35
15	A	1377	1329	82.95
16	A	1233	1190	46.86
17	A	1097	1058	3.88
18	A	1073	1035	0.43
19	A	1020	985	5.01
20	A	961	927	22.74
21	A	952	919	10.82
22	A	830	801	13.23
23	A	745	719	5.33
24	A	681	657	10.02
25	A	578	558	18.13
26	A	562	542	6.80
27	A	506	488	4.29
28	A	385	372	90.79
29	A	366	354	83.42
30	A	330	319	3.62
31	A	267	257	12.36
32	A	167	161	0.23
33	A	72	70	3.94

Atom	x (Å)	y (Å)	z (Å)
N1	-1.678	0.744	0.238
H2	-2.632	0.428	0.319
H3	-1.417	1.563	0.760
C4	1.673	-0.904	0.249
H5	1.526	-1.338	1.244
H6	1.506	-1.713	-0.467
H7	2.705	-0.552	0.170
C8	1.060	1.469	-0.257
H9	0.340	2.243	-0.499
H10	2.105	1.763	-0.268
C11	-0.746	-0.223	-0.040
O12	-1.061	-1.365	-0.326
C13	0.696	0.210	-0.005

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0080	1.0055	3.7348	3.9521	4.0838	4.5711	2.8755	2.6190	3.9503	1.3720	2.2686	2.4456
H2	1.0080		1.7202	4.5070	4.6117	4.7251	5.4279	3.8789	3.5764	4.9561	2.0272	2.4691	3.3507
H3	1.0055	1.7202		3.9871	4.1614	4.5592	4.6704	2.6796	2.2652	3.6742	2.0691	3.1428	2.6230
C4	3.7348	4.5070	3.9871		1.0961	1.0936	1.0923	2.5024	3.4982	2.7507	2.5298	2.8319	1.5033
H5	3.9521	4.6117	4.1614	1.0961		1.7519	1.7779	3.2178	4.1559	3.4990	2.8385	3.0266	2.1557
H6	4.0838	4.7251	4.5592	1.0936	1.7519		1.7857	3.2202	4.1246	3.5334	2.7341	2.5947	2.1377
H7	4.5711	5.4279	4.6704	1.0923	1.7779	1.7857		2.6407	3.7220	2.4320	3.4726	3.8839	2.1555
C8	2.8755	3.8789	2.6796	2.5024	3.2178	3.2202	2.6407		1.0844	1.0855	2.4844	3.5402	1.3347
H9	2.6190	3.5764	2.2652	3.4982	4.1559	4.1246	3.7220	1.0844		1.8436	2.7330	3.8736	2.1220
H10	3.9503	4.9561	3.6742	2.7507	3.4990	3.5334	2.4320	1.0855	1.8436		3.4821	4.4508	2.1135
C11	1.3720	2.0272	2.0691	2.5298	2.8385	2.7341	3.4726	2.4844	2.7330	3.4821		1.2181	1.5061
O12	2.2686	2.4691	3.1428	2.8319	3.0266	2.5947	3.8839	3.5402	3.8736	4.4508	1.2181		2.3812
C13	2.4456	3.3507	2.6230	1.5033	2.1557	2.1377	2.1555	1.3347	2.1220	2.1135	1.5061	2.3812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.182	C1	H11	H13	116.288
C2	C1	C3	117.373	C2	C1	H11	115.964
C3	C1	H11	120.202	C4	H13	H8	123.603
C4	H13	H11	114.415	O5	C4	N6	106.276
O5	C4	H7	108.670	O5	C4	H13	111.091
N6	C4	H7	109.555	N6	C4	H13	109.800
H7	C4	H13	111.311	H8	H13	H11	121.871
H9	H8	H10	116.346	H9	H8	H13	122.272
H10	H8	H13	121.344	H12	H11	H13	121.516

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B3LYP/6-31G(2df,p)

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	-0.527
2	H	0.259
3	H	0.257
4	C	-0.464
5	H	0.132
6	H	0.156
7	H	0.115
8	C	-0.399
9	H	0.113
10	H	0.117
11	C	0.344
12	O	-0.356
13	C	0.254

	x	y	z	Total
	0.250	2.838	1.423	3.185
CHELPG
AIM
ESP

	x	y	z
x	8.796	0.339	-0.175
y	0.339	9.670	-0.186
z	-0.175	-0.186	4.908

<r²>	163.451
(<r²>)^1/2	12.785

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)