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	hartrees
Energy at 0K	-284.922961
Energy at 298.15K	-284.930829
Nuclear repulsion energy	225.799045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3545	3526	15.84
2	A	3414	3395	12.67
3	A	3149	3131	16.68
4	A	3075	3058	8.81
5	A	3069	3052	8.51
6	A	3028	3012	13.80
7	A	2973	2956	16.39
8	A	1656	1647	69.68
9	A	1639	1630	122.49
10	A	1603	1594	40.48
11	A	1525	1516	15.12
12	A	1502	1493	12.76
13	A	1454	1446	5.12
14	A	1412	1404	21.82
15	A	1305	1298	85.26
16	A	1215	1208	54.64
17	A	1077	1072	4.16
18	A	1060	1054	5.36
19	A	1026	1021	2.40
20	A	920	915	18.11
21	A	908	903	29.99
22	A	805	801	23.18
23	A	697	694	6.03
24	A	664	660	29.24
25	A	582	579	23.54
26	A	551	548	2.35
27	A	497	494	10.92
28	A	454	451	199.40
29	A	368	366	9.41
30	A	315	313	6.98
31	A	270	269	12.85
32	A	145	144	0.46
33	A	80	80	5.75

Atom	x (Å)	y (Å)	z (Å)
N1	-1.677	0.773	0.251
H2	-2.670	0.529	0.214
H3	-1.402	1.674	0.643
C4	1.664	-0.940	0.238
H5	1.621	-1.270	1.292
H6	1.337	-1.790	-0.381
H7	2.700	-0.663	-0.007
C8	1.099	1.481	-0.249
H9	0.388	2.275	-0.493
H10	2.156	1.758	-0.259
C11	-0.754	-0.217	-0.036
O12	-1.084	-1.397	-0.312
C13	0.705	0.218	0.002

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0226	1.0203	3.7545	4.0167	4.0066	4.6138	2.9083	2.6603	3.9903	1.3834	2.3192	2.4587
H2	1.0226		1.7607	4.5762	4.7761	4.6678	5.5049	3.9144	3.5915	5.0019	2.0712	2.5504	3.3957
H3	1.0203	1.7607		4.0493	4.2692	4.5332	4.7655	2.6625	2.2044	3.6715	2.1107	3.2320	2.6405
C4	3.7545	4.5762	4.0493		1.1052	1.1014	1.0998	2.5333	3.5347	2.7871	2.5385	2.8396	1.5215
H5	4.0167	4.7761	4.2692	1.1052		1.7745	1.7939	3.1962	4.1557	3.4439	2.9175	3.1473	2.1715
H6	4.0066	4.6678	4.5332	1.1014	1.7745		1.8079	3.2826	4.1755	3.6437	2.6393	2.4534	2.1393
H7	4.6138	5.5049	4.7655	1.0998	1.7939	1.8079		2.6870	3.7695	2.4944	3.4827	3.8665	2.1807
C8	2.9083	3.9144	2.6625	2.5333	3.1962	3.2826	2.6870		1.0926	1.0927	2.5221	3.6130	1.3472
H9	2.6603	3.5915	2.2044	3.5347	4.1557	4.1755	3.7695	1.0926		1.8560	2.7788	3.9603	2.1394
H10	3.9903	5.0019	3.6715	2.7871	3.4439	3.6437	2.4944	1.0927	1.8560		3.5237	4.5228	2.1323
C11	1.3834	2.0712	2.1107	2.5385	2.9175	2.6393	3.4827	2.5221	2.7788	3.5237		1.2566	1.5226
O12	2.3192	2.5504	3.2320	2.8396	3.1473	2.4534	3.8665	3.6130	3.9603	4.5228	1.2566		2.4303
C13	2.4587	3.3957	2.6405	1.5215	2.1715	2.1393	2.1807	1.3472	2.1394	2.1323	1.5226	2.4303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.844	C1	H11	H13	115.489
C2	C1	C3	119.050	C2	C1	H11	118.042
C3	C1	H11	122.103	C4	H13	H8	123.923
C4	H13	H11	113.008	O5	C4	N6	107.063
O5	C4	H7	108.891	O5	C4	H13	110.527
N6	C4	H7	110.444	N6	C4	H13	108.234
H7	C4	H13	111.583	H8	H13	H11	122.892
H9	H8	H10	116.276	H9	H8	H13	122.193
H10	H8	H13	121.486	H12	H11	H13	121.667

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: BLYP/3-21G

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	-0.696
2	H	0.299
3	H	0.297
4	C	-0.556
5	H	0.195
6	H	0.218
7	H	0.177
8	C	-0.360
9	H	0.160
10	H	0.176
11	C	0.574
12	O	-0.467
13	C	-0.018

	x	y	z	Total
	-0.111	3.008	1.115	3.210
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	166.607
(<r²>)^1/2	12.908

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)