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	hartrees
Energy at 0K	-286.609790
Energy at 298.15K	-286.617704
Nuclear repulsion energy	228.074067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3703	3556	26.05
2	A	3581	3439	28.56
3	A	3244	3115	12.64
4	A	3166	3041	6.83
5	A	3144	3019	13.69
6	A	3113	2990	13.95
7	A	3054	2933	16.73
8	A	1787	1716	248.08
9	A	1715	1647	30.41
10	A	1640	1575	99.40
11	A	1522	1462	15.29
12	A	1502	1442	7.89
13	A	1468	1410	11.93
14	A	1438	1381	3.09
15	A	1392	1337	87.78
16	A	1246	1196	50.63
17	A	1108	1064	4.77
18	A	1086	1042	0.69
19	A	1034	993	5.16
20	A	962	924	6.81
21	A	951	913	33.15
22	A	824	791	17.81
23	A	750	720	5.71
24	A	680	653	15.90
25	A	578	556	25.93
26	A	563	541	11.21
27	A	510	490	6.59
28	A	403	387	177.40
29	A	373	358	25.78
30	A	326	313	4.14
31	A	267	256	11.19
32	A	168	161	0.22
33	A	74	71	4.00

Atom	x (Å)	y (Å)	z (Å)
N1	-1.682	0.749	0.235
H2	-2.636	0.424	0.320
H3	-1.425	1.558	0.780
C4	1.678	-0.905	0.249
H5	1.523	-1.351	1.239
H6	1.527	-1.708	-0.479
H7	2.710	-0.547	0.185
C8	1.062	1.472	-0.258
H9	0.341	2.246	-0.503
H10	2.108	1.767	-0.267
C11	-0.746	-0.222	-0.039
O12	-1.066	-1.369	-0.325
C13	0.698	0.209	-0.005

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0115	1.0094	3.7451	3.9607	4.1040	4.5795	2.8803	2.6227	3.9567	1.3756	2.2755	2.4521
H2	1.0115		1.7219	4.5150	4.6143	4.7451	5.4354	3.8872	3.5861	4.9658	2.0292	2.4694	3.3567
H3	1.0094	1.7219		3.9974	4.1670	4.5792	4.6783	2.6962	2.2883	3.6911	2.0737	3.1496	2.6352
C4	3.7451	4.5150	3.9974		1.0971	1.0947	1.0937	2.5072	3.5049	2.7549	2.5355	2.8416	1.5052
H5	3.9607	4.6143	4.1670	1.0971		1.7550	1.7794	3.2284	4.1680	3.5118	2.8388	3.0245	2.1590
H6	4.1040	4.7451	4.5792	1.0947	1.7550		1.7854	3.2217	4.1288	3.5299	2.7515	2.6192	2.1415
H7	4.5795	5.4354	4.6783	1.0937	1.7794	1.7854		2.6440	3.7273	2.4338	3.4789	3.8976	2.1580
C8	2.8803	3.8872	2.6962	2.5072	3.2284	3.2217	2.6440		1.0863	1.0871	2.4875	3.5504	1.3391
H9	2.6227	3.5861	2.2883	3.5049	4.1680	4.1288	3.7273	1.0863		1.8466	2.7365	3.8836	2.1279
H10	3.9567	4.9658	3.6911	2.7549	3.5118	3.5299	2.4338	1.0871	1.8466		3.4866	4.4625	2.1182
C11	1.3756	2.0292	2.0737	2.5355	2.8388	2.7515	3.4789	2.4875	2.7365	3.4866		1.2248	1.5073
O12	2.2755	2.4694	3.1496	2.8416	3.0245	2.6192	3.8976	3.5504	3.8836	4.4625	1.2248		2.3878
C13	2.4521	3.3567	2.6352	1.5052	2.1590	2.1415	2.1580	1.3391	2.1279	2.1182	1.5073	2.3878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.001	C1	H11	H13	116.474
C2	C1	C3	116.870	C2	C1	H11	115.602
C3	C1	H11	120.020	C4	H13	H8	123.547
C4	H13	H11	114.630	O5	C4	N6	106.389
O5	C4	H7	108.629	O5	C4	H13	111.151
N6	C4	H7	109.343	N6	C4	H13	109.907
H7	C4	H13	111.283	H8	H13	H11	121.722
H9	H8	H10	116.356	H9	H8	H13	122.308
H10	H8	H13	121.291	H12	H11	H13	121.507

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B3LYP/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	CHELPG	AIM	ESP
1	N	-0.747	-0.870	-1.200	-0.873
2	H	0.339	0.390	0.423	0.392
3	H	0.332	0.356	0.411	0.363
4	C	-0.503	-0.137	-0.011	-0.293
5	H	0.163	0.043	0.028	0.083
6	H	0.189	0.063	0.048	0.105
7	H	0.146	0.057	0.015	0.100
8	C	-0.392	-0.390	-0.097	-0.464
9	H	0.148	0.147	0.042	0.171
10	H	0.149	0.159	0.046	0.185
11	C	0.534	0.668	1.494	0.644
12	O	-0.497	-0.522	-1.201	-0.510
13	C	0.140	0.036	-0.011	0.096

	x	y	z	Total
	0.288	2.894	1.557	3.299
CHELPG	0.325	2.917	1.557	3.323
AIM	-1.023	-1.032	-0.345	1.494
ESP	0.335	2.892	1.566	3.306

	x	y	z
x	8.350	0.416	-0.176
y	0.416	9.462	-0.161
z	-0.176	-0.161	4.321

<r²>	164.203
(<r²>)^1/2	12.814

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)