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	hartrees
Energy at 0K	-286.286308
Energy at 298.15K	-286.293962
Nuclear repulsion energy	226.870367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3650	3609	33.42
2	A	3511	3471	26.02
3	A	3173	3137	11.10
4	A	3087	3052	7.21
5	A	3083	3048	11.59
6	A	3049	3014	7.63
7	A	2983	2949	15.37
8	A	1697	1678	276.95
9	A	1645	1626	55.67
10	A	1561	1543	100.38
11	A	1447	1430	21.16
12	A	1423	1407	12.00
13	A	1399	1383	12.89
14	A	1364	1348	9.97
15	A	1338	1323	76.09
16	A	1199	1185	48.00
17	A	1052	1040	1.10
18	A	1029	1017	0.46
19	A	986	975	6.25
20	A	933	922	3.65
21	A	899	889	44.08
22	A	785	776	8.69
23	A	729	721	3.72
24	A	652	644	6.59
25	A	560	553	12.22
26	A	549	542	4.97
27	A	490	484	2.79
28	A	367	363	18.89
29	A	326	322	160.47
30	A	305	301	7.12
31	A	252	249	17.50
32	A	161	160	0.39
33	A	68	67	4.61

Atom	x (Å)	y (Å)	z (Å)
N1	-1.671	0.757	0.288
H2	-2.646	0.469	0.330
H3	-1.396	1.592	0.794
C4	1.669	-0.919	0.283
H5	1.499	-1.342	1.289
H6	1.509	-1.745	-0.430
H7	2.712	-0.574	0.216
C8	1.086	1.462	-0.294
H9	0.368	2.241	-0.568
H10	2.144	1.740	-0.310
C11	-0.750	-0.213	-0.041
O12	-1.092	-1.356	-0.374
C13	0.703	0.199	-0.004

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0173	1.0156	3.7373	3.9309	4.1096	4.5809	2.9048	2.6637	3.9857	1.3771	2.2882	2.4568
H2	1.0173		1.7443	4.5334	4.6235	4.7692	5.4595	3.9119	3.6101	4.9977	2.0487	2.4981	3.3770
H3	1.0156	1.7443		3.9954	4.1507	4.5907	4.6792	2.7127	2.3211	3.7113	2.0913	3.1859	2.6431
C4	3.7373	4.5334	3.9954		1.1042	1.1025	1.1003	2.5181	3.5216	2.7661	2.5412	2.8717	1.5051
H5	3.9309	4.6235	4.1507	1.1042		1.7652	1.7924	3.2453	4.1902	3.5315	2.8462	3.0785	2.1626
H6	4.1096	4.7692	4.5907	1.1025	1.7652		1.7987	3.2374	4.1482	3.5450	2.7575	2.6307	2.1468
H7	4.5809	5.4595	4.6792	1.1003	1.7924	1.7987		2.6541	3.7451	2.4397	3.4901	3.9278	2.1629
C8	2.9048	3.9119	2.7127	2.5181	3.2453	3.2374	2.6541		1.0942	1.0948	2.4977	3.5619	1.3509
H9	2.6637	3.6101	2.3211	3.5216	4.1902	4.1482	3.7451	1.0942		1.8633	2.7473	3.8865	2.1447
H10	3.9857	4.9977	3.7113	2.7661	3.5315	3.5450	2.4397	1.0948	1.8633		3.5023	4.4794	2.1324
C11	1.3771	2.0487	2.0913	2.5412	2.8462	2.7575	3.4901	2.4977	2.7473	3.5023		1.2386	1.5111
O12	2.2882	2.4981	3.1859	2.8717	3.0785	2.6307	3.9278	3.5619	3.8865	4.4794	1.2386		2.4034
C13	2.4568	3.3770	2.6431	1.5051	2.1626	2.1468	2.1629	1.3509	2.1447	2.1324	1.5111	2.4034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	121.952	C1	H11	H13	116.485
C2	C1	C3	118.197	C2	C1	H11	116.858
C3	C1	H11	121.126	C4	H13	H8	123.609
C4	H13	H11	114.819	O5	C4	N6	106.252
O5	C4	H7	108.789	O5	C4	H13	111.027
N6	C4	H7	109.484	N6	C4	H13	109.871
H7	C4	H13	111.280	H8	H13	H11	121.446
H9	H8	H10	116.683	H9	H8	H13	122.249
H10	H8	H13	121.006	H12	H11	H13	121.551

All results from a given calculation for C₄H₇NO (Methacrylamide)

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

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	-0.524
2	H	0.323
3	H	0.297
4	C	-0.759
5	H	0.189
6	H	0.213
7	H	0.166
8	C	-0.498
9	H	0.152
10	H	0.156
11	C	0.257
12	O	-0.470
13	C	0.498

	x	y	z	Total
	0.430	3.063	1.526	3.449
CHELPG
AIM
ESP

	x	y	z
x	10.130	0.443	-0.203
y	0.443	11.292	-0.115
z	-0.203	-0.115	6.587

<r²>	166.189
(<r²>)^1/2	12.891

All results from a given calculation for C4H7NO (Methacrylamide)

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

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)