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	hartrees
Energy at 0K	-286.476775
Energy at 298.15K	-286.484802
HF Energy	-286.476775
Nuclear repulsion energy	228.959184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3749	3550	40.76
2	A	3622	3430	46.83
3	A	3273	3099	8.04
4	A	3189	3020	2.00
5	A	3184	3015	8.87
6	A	3161	2994	9.68
7	A	3091	2927	11.36
8	A	1853	1754	285.97
9	A	1760	1666	29.70
10	A	1648	1561	130.01
11	A	1524	1443	18.33
12	A	1502	1423	7.87
13	A	1475	1396	17.02
14	A	1448	1372	18.05
15	A	1413	1338	68.33
16	A	1256	1190	49.31
17	A	1120	1061	1.72
18	A	1087	1029	0.91
19	A	1031	976	5.77
20	A	978	926	24.31
21	A	970	919	17.05
22	A	834	790	19.43
23	A	767	727	5.09
24	A	686	650	17.98
25	A	585	554	24.24
26	A	567	537	15.25
27	A	516	488	12.99
28	A	423	400	203.07
29	A	380	360	14.56
30	A	330	313	4.82
31	A	274	259	10.94
32	A	182	172	0.20
33	A	83	79	3.47

Atom	x (Å)	y (Å)	z (Å)
N1	-1.719	0.725	-0.061
H2	-2.610	0.233	-0.040
H3	-1.681	1.343	0.750
C4	1.746	-0.820	0.032
H5	2.359	-0.693	0.926
H6	1.326	-1.826	0.043
H7	2.391	-0.725	-0.843
C8	0.971	1.505	-0.037
H9	0.217	2.241	-0.085
H10	1.980	1.812	-0.027
C11	-0.704	-0.229	-0.020
O12	-1.001	-1.422	-0.012
C13	0.663	0.196	-0.008

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0185	1.0201	3.7951	4.4294	3.9737	4.4282	2.8009	2.4588	3.8551	1.3943	2.2645	2.4408
H2	1.0185		1.6489	4.4822	5.1465	4.4427	5.1554	3.8006	3.4681	4.8539	1.9619	2.3083	3.2738
H3	1.0201	1.6489		4.1155	4.5276	4.4250	4.8370	2.7711	2.2595	3.7714	2.0046	2.9471	2.7171
C4	3.7951	4.4822	4.1155		1.0918	1.0901	1.0916	2.4518	3.4233	2.6429	2.5204	2.8124	1.4857
H5	4.4294	5.1465	4.5276	1.0918		1.7695	1.7703	2.7727	3.7706	2.7070	3.2389	3.5639	2.1308
H6	3.9737	4.4427	4.4250	1.0901	1.7695		1.7698	3.3507	4.2169	3.6966	2.5830	2.3623	2.1288
H7	4.4282	5.1554	4.8370	1.0916	1.7703	1.7698		2.7640	3.7547	2.6966	3.2408	3.5613	2.1292
C8	2.8009	3.8006	2.7711	2.4518	2.7727	3.3507	2.7640		1.0544	1.0543	2.4110	3.5292	1.3445
H9	2.4588	3.4681	2.2595	3.4233	3.7706	4.2169	3.7547	1.0544		1.8148	2.6368	3.8604	2.0936
H10	3.8551	4.8539	3.7714	2.6429	2.7070	3.6966	2.6966	1.0543	1.8148		3.3714	4.3977	2.0839
C11	1.3943	1.9619	2.0046	2.5204	3.2389	2.5830	3.2408	2.4110	2.6368	3.3714		1.2290	1.4317
O12	2.2645	2.3083	2.9471	2.8124	3.5639	2.3623	3.5613	3.5292	3.8604	4.3977	1.2290		2.3212
C13	2.4408	3.2738	2.7171	1.4857	2.1308	2.1288	2.1292	1.3445	2.0936	2.0839	1.4317	2.3212

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	119.231	C1	H11	H13	119.463
C2	C1	C3	107.960	C2	C1	H11	107.791
C3	C1	H11	111.307	C4	H13	H8	119.974
C4	H13	H11	119.504	O5	C4	N6	108.384
O5	C4	H7	108.348	O5	C4	H13	110.591
N6	C4	H7	108.433	N6	C4	H13	110.533
H7	C4	H13	110.477	H8	H13	H11	120.522
H9	H8	H10	118.774	H9	H8	H13	121.084
H10	H8	H13	120.136	H12	H11	H13	121.298

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: M06-2X/6-31G*

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	-0.802
2	H	0.364
3	H	0.354
4	C	-0.525
5	H	0.180
6	H	0.205
7	H	0.162
8	C	-0.417
9	H	0.167
10	H	0.170
11	C	0.564
12	O	-0.506
13	C	0.084

	x	y	z	Total
	0.289	2.931	1.541	3.324
CHELPG
AIM
ESP

	x	y	z
x	8.018	0.376	-0.135
y	0.376	9.344	-0.152
z	-0.135	-0.152	4.287

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: M06-2X/6-31G*

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)