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	hartrees
Energy at 0K	-284.972036
Energy at 298.15K	-284.980286
HF Energy	-284.972036
Nuclear repulsion energy	230.591618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3954	3577	49.10
2	A	3819	3455	51.74
3	A	3370	3048	10.42
4	A	3292	2978	6.27
5	A	3253	2942	15.32
6	A	3228	2920	20.93
7	A	3172	2869	22.59
8	A	1924	1740	425.73
9	A	1833	1659	76.72
10	A	1767	1599	115.72
11	A	1612	1458	17.73
12	A	1592	1441	7.71
13	A	1567	1418	10.69
14	A	1542	1395	9.48
15	A	1494	1351	107.70
16	A	1330	1204	68.74
17	A	1198	1084	7.97
18	A	1171	1059	0.61
19	A	1111	1005	9.93
20	A	1085	982	39.47
21	A	1017	920	3.52
22	A	908	822	23.35
23	A	798	722	5.23
24	A	747	675	11.64
25	A	625	566	15.58
26	A	593	536	12.41
27	A	548	496	5.28
28	A	406	367	11.95
29	A	358	324	178.63
30	A	354	320	12.85
31	A	282	256	17.84
32	A	194	175	0.21
33	A	69	62	4.32

Atom	x (Å)	y (Å)	z (Å)
N1	-1.679	0.710	0.278
H2	-2.619	0.399	0.334
H3	-1.427	1.523	0.779
C4	1.678	-0.888	0.275
H5	1.481	-1.341	1.240
H6	1.587	-1.670	-0.467
H7	2.689	-0.506	0.270
C8	1.045	1.453	-0.281
H9	0.327	2.211	-0.529
H10	2.077	1.746	-0.296
C11	-0.748	-0.221	-0.046
O12	-1.047	-1.333	-0.363
C13	0.694	0.211	-0.009

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		0.9917	0.9884	3.7171	3.8876	4.1088	4.5335	2.8776	2.6319	3.9384	1.3556	2.2318	2.4411
H2	0.9917		1.6978	4.4853	4.5447	4.7551	5.3845	3.8612	3.5644	4.9259	2.0074	2.4401	3.3354
H3	0.9884	1.6978		3.9633	4.1078	4.5645	4.6172	2.6904	2.2937	3.6725	2.0458	3.0995	2.6155
C4	3.7171	4.4853	3.9633		1.0839	1.0814	1.0811	2.4880	3.4749	2.7249	2.5357	2.8338	1.5024
H5	3.8876	4.5447	4.1078	1.0839		1.7410	1.7601	3.2110	4.1325	3.4996	2.8060	2.9935	2.1423
H6	4.1088	4.7551	4.5645	1.0814	1.7410		1.7637	3.1749	4.0808	3.4550	2.7799	2.6581	2.1322
H7	4.5335	5.3845	4.6172	1.0811	1.7601	1.7637		2.6162	3.6876	2.4012	3.4627	3.8787	2.1384
C8	2.8776	3.8612	2.6904	2.4880	3.2110	3.1749	2.6162		1.0729	1.0737	2.4636	3.4847	1.3186
H9	2.6319	3.5644	2.2937	3.4749	4.1325	4.0808	3.6876	1.0729		1.8259	2.7023	3.8045	2.0985
H10	3.9384	4.9259	3.6725	2.7249	3.4996	3.4550	2.4012	1.0737	1.8259		3.4514	4.3872	2.0862
C11	1.3556	2.0074	2.0458	2.5357	2.8060	2.7799	3.4627	2.4636	2.7023	3.4514		1.1944	1.5052
O12	2.2318	2.4401	3.0995	2.8338	2.9935	2.6581	3.8787	3.4847	3.8045	4.3872	1.1944		2.3539
C13	2.4411	3.3354	2.6155	1.5024	2.1423	2.1322	2.1384	1.3186	2.0985	2.0862	1.5052	2.3539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.013	C1	H11	H13	117.045
C2	C1	C3	118.060	C2	C1	H11	116.712
C3	C1	H11	120.766	C4	H13	H8	123.627
C4	H13	H11	114.933	O5	C4	N6	107.040
O5	C4	H7	108.778	O5	C4	H13	110.819
N6	C4	H7	109.293	N6	C4	H13	110.151
H7	C4	H13	110.672	H8	H13	H11	121.342
H9	H8	H10	116.564	H9	H8	H13	122.346
H10	H8	H13	121.060	H12	H11	H13	120.936

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: HF/daug-cc-pVTZ

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	-0.842
2	H	-0.115
3	H	0.322
4	C	-1.089
5	H	0.293
6	H	0.060
7	H	0.316
8	C	-2.411
9	H	0.426
10	H	0.514
11	C	1.054
12	O	-1.103
13	C	2.575

	x	y	z	Total
	0.587	3.259	1.533	3.649
CHELPG
AIM
ESP

	x	y	z
x	8.935	0.427	-0.159
y	0.427	10.337	-0.169
z	-0.159	-0.169	6.473

<r²>	162.243
(<r²>)^1/2	12.737

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)