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	hartrees
Energy at 0K	-286.732208
Energy at 298.15K	-286.740061
HF Energy	-286.732208
Nuclear repulsion energy	228.880932

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3717	3597	36.75
2	A	3587	3470	34.43
3	A	3216	3111	9.42
4	A	3138	3036	5.95
5	A	3117	3015	11.98
6	A	3085	2985	9.98
7	A	3033	2934	14.87
8	A	1737	1681	294.55
9	A	1689	1634	70.49
10	A	1614	1561	96.62
11	A	1494	1446	17.96
12	A	1472	1424	8.67
13	A	1448	1401	9.73
14	A	1413	1367	3.39
15	A	1374	1330	93.78
16	A	1234	1194	55.12
17	A	1091	1056	3.35
18	A	1074	1039	0.25
19	A	1026	992	6.89
20	A	959	928	31.86
21	A	952	921	8.30
22	A	824	797	11.13
23	A	744	719	4.44
24	A	679	657	7.27
25	A	577	558	10.56
26	A	564	546	5.29
27	A	508	491	3.98
28	A	379	367	5.16
29	A	325	315	9.58
30	A	312	301	150.61
31	A	264	255	23.89
32	A	169	163	0.19
33	A	66	64	4.50

Atom	x (Å)	y (Å)	z (Å)
N1	-1.679	0.739	0.255
H2	-2.634	0.429	0.324
H3	-1.420	1.555	0.780
C4	1.679	-0.896	0.263
H5	1.497	-1.352	1.238
H6	1.565	-1.686	-0.478
H7	2.701	-0.521	0.236
C8	1.056	1.462	-0.274
H9	0.333	2.229	-0.519
H10	2.097	1.757	-0.295
C11	-0.748	-0.227	-0.034
O12	-1.062	-1.358	-0.347
C13	0.697	0.208	-0.004

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0070	1.0045	3.7345	3.9271	4.1157	4.5571	2.8774	2.6205	3.9491	1.3720	2.2673	2.4480
H2	1.0070		1.7173	4.5130	4.5911	4.7703	5.4200	3.8783	3.5715	4.9531	2.0295	2.4737	3.3550
H3	1.0045	1.7173		3.9851	4.1439	4.5828	4.6466	2.6926	2.2838	3.6835	2.0712	3.1445	2.6292
C4	3.7345	4.5130	3.9851		1.0913	1.0896	1.0886	2.4978	3.4913	2.7431	2.5348	2.8463	1.5015
H5	3.9271	4.5911	4.1439	1.0913		1.7498	1.7728	3.2250	4.1550	3.5177	2.8147	3.0106	2.1482
H6	4.1157	4.7703	4.5828	1.0896	1.7498		1.7767	3.1959	4.1046	3.4888	2.7705	2.6508	2.1369
H7	4.5571	5.4200	4.6466	1.0886	1.7728	1.7767		2.6271	3.7067	2.4159	3.4715	3.8988	2.1457
C8	2.8774	3.8783	2.6926	2.4978	3.2250	3.1959	2.6271		1.0815	1.0826	2.4823	3.5279	1.3322
H9	2.6205	3.5715	2.2838	3.4913	4.1550	4.1046	3.7067	1.0815		1.8397	2.7265	3.8529	2.1171
H10	3.9491	4.9531	3.6835	2.7431	3.5177	3.4888	2.4159	1.0826	1.8397		3.4779	4.4372	2.1081
C11	1.3720	2.0295	2.0712	2.5348	2.8147	2.7705	3.4715	2.4823	2.7265	3.4779		1.2157	1.5090
O12	2.2673	2.4737	3.1445	2.8463	3.0106	2.6508	3.8988	3.5279	3.8529	4.4372	1.2157		2.3805
C13	2.4480	3.3550	2.6292	1.5015	2.1482	2.1369	2.1457	1.3322	2.1171	2.1081	1.5090	2.3805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.261	C1	H11	H13	116.279
C2	C1	C3	117.247	C2	C1	H11	116.262
C3	C1	H11	120.498	C4	H13	H8	123.531
C4	H13	H11	114.701	O5	C4	N6	106.710
O5	C4	H7	108.828	O5	C4	H13	110.910
N6	C4	H7	109.311	N6	C4	H13	110.105
H7	C4	H13	110.871	H8	H13	H11	121.653
H9	H8	H10	116.446	H9	H8	H13	122.252
H10	H8	H13	121.266	H12	H11	H13	121.403

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B3LYPultrafine/aug-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	-0.221
2	H	0.051
3	H	0.064
4	C	-0.718
5	H	0.216
6	H	0.198
7	H	0.181
8	C	-1.017
9	H	0.239
10	H	0.229
11	C	0.602
12	O	-0.721
13	C	0.896

	x	y	z	Total
	0.450	3.125	1.388	3.449
CHELPG
AIM
ESP

	x	y	z
x	10.234	0.312	-0.200
y	0.312	11.182	-0.095
z	-0.200	-0.095	6.903

<r²>	163.999
(<r²>)^1/2	12.806

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)