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	hartrees
Energy at 0K	-286.269578
Energy at 298.15K	-286.277302
Nuclear repulsion energy	227.189904

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3648	3598	26.15
2	A	3511	3462	21.51
3	A	3176	3132	11.52
4	A	3091	3049	11.02
5	A	3089	3047	5.79
6	A	3054	3012	9.50
7	A	2987	2946	14.14
8	A	1729	1706	211.84
9	A	1660	1637	27.20
10	A	1561	1539	103.08
11	A	1455	1435	17.65
12	A	1431	1411	9.61
13	A	1405	1386	13.31
14	A	1368	1350	10.61
15	A	1343	1324	64.52
16	A	1205	1188	41.95
17	A	1060	1046	2.02
18	A	1034	1020	1.18
19	A	987	974	4.84
20	A	935	922	4.10
21	A	900	888	35.14
22	A	793	782	12.49
23	A	731	721	5.20
24	A	655	646	11.19
25	A	563	556	20.06
26	A	549	542	3.30
27	A	491	484	4.59
28	A	376	371	122.62
29	A	356	351	67.20
30	A	311	306	4.28
31	A	258	254	12.68
32	A	157	155	0.36
33	A	75	74	3.74

Atom	x (Å)	y (Å)	z (Å)
N1	-1.675	0.763	0.246
H2	-2.640	0.453	0.320
H3	-1.402	1.581	0.782
C4	1.670	-0.917	0.256
H5	1.539	-1.330	1.271
H6	1.465	-1.746	-0.440
H7	2.713	-0.587	0.142
C8	1.077	1.472	-0.267
H9	0.353	2.251	-0.521
H10	2.133	1.760	-0.280
C11	-0.749	-0.218	-0.038
O12	-1.080	-1.370	-0.337
C13	0.702	0.204	-0.002

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0168	1.0153	3.7431	3.9698	4.0773	4.5914	2.8878	2.6295	3.9713	1.3789	2.2903	2.4537
H2	1.0168		1.7381	4.5231	4.6419	4.7184	5.4556	3.8991	3.5916	4.9853	2.0386	2.4876	3.3663
H3	1.0153	1.7381		3.9943	4.1667	4.5588	4.6943	2.6940	2.2861	3.6954	2.0825	3.1728	2.6333
C4	3.7431	4.5231	3.9943		1.1040	1.1017	1.0998	2.5165	3.5181	2.7694	2.5346	2.8495	1.5041
H5	3.9698	4.6419	4.1667	1.1040		1.7629	1.7907	3.2295	4.1766	3.5085	2.8605	3.0735	2.1626
H6	4.0773	4.7184	4.5588	1.1017	1.7629		1.8004	3.2462	4.1499	3.5730	2.7195	2.5745	2.1399
H7	4.5914	5.4556	4.6943	1.0998	1.7907	1.8004		2.6605	3.7496	2.4535	3.4854	3.9024	2.1657
C8	2.8878	3.8991	2.6940	2.5165	3.2295	3.2462	2.6605		1.0939	1.0945	2.4986	3.5691	1.3485
H9	2.6295	3.5916	2.2861	3.5181	4.1766	4.1499	3.7496	1.0939		1.8624	2.7467	3.8991	2.1402
H10	3.9713	4.9853	3.6954	2.7694	3.5085	3.5730	2.4535	1.0945	1.8624		3.5038	4.4864	2.1324
C11	1.3789	2.0386	2.0825	2.5346	2.8605	2.7195	3.4854	2.4986	2.7467	3.5038		1.2356	1.5108
O12	2.2903	2.4876	3.1728	2.8495	3.0735	2.5745	3.9024	3.5691	3.8991	4.4864	1.2356		2.4012
C13	2.4537	3.3663	2.6333	1.5041	2.1626	2.1399	2.1657	1.3485	2.1402	2.1324	1.5108	2.4012

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.223	C1	H11	H13	116.153
C2	C1	C3	117.594	C2	C1	H11	115.805
C3	C1	H11	120.102	C4	H13	H8	123.725
C4	H13	H11	114.429	O5	C4	N6	106.116
O5	C4	H7	108.690	O5	C4	H13	111.102
N6	C4	H7	109.725	N6	C4	H13	109.439
H7	C4	H13	111.614	H8	H13	H11	121.717
H9	H8	H10	116.651	H9	H8	H13	122.051
H10	H8	H13	121.244	H12	H11	H13	121.602

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: PBEPBE/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	-0.593
2	H	0.276
3	H	0.267
4	C	-0.410
5	H	0.140
6	H	0.164
7	H	0.119
8	C	-0.302
9	H	0.112
10	H	0.115
11	C	0.486
12	O	-0.467
13	C	0.093

	x	y	z	Total
	0.181	2.768	1.512	3.160
CHELPG
AIM
ESP

	x	y	z
x	8.910	0.348	-0.197
y	0.348	9.775	-0.160
z	-0.197	-0.160	4.517

<r²>	164.903
(<r²>)^1/2	12.841

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)