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	hartrees
Energy at 0K	-286.500609
Energy at 298.15K	-286.508499
Nuclear repulsion energy	228.516036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3732	3571	32.14
2	A	3606	3450	33.12
3	A	3255	3114	11.39
4	A	3173	3036	6.92
5	A	3161	3025	12.20
6	A	3131	2995	11.76
7	A	3063	2931	15.66
8	A	1805	1727	259.11
9	A	1722	1648	29.28
10	A	1640	1569	110.54
11	A	1516	1451	18.50
12	A	1495	1431	9.77
13	A	1464	1400	15.54
14	A	1433	1371	8.53
15	A	1400	1340	80.68
16	A	1249	1195	47.26
17	A	1109	1061	2.26
18	A	1080	1033	1.05
19	A	1029	984	5.72
20	A	966	924	5.25
21	A	949	908	39.26
22	A	825	789	18.45
23	A	756	723	5.29
24	A	683	654	14.99
25	A	580	554	24.40
26	A	567	543	7.07
27	A	509	487	5.65
28	A	394	377	172.55
29	A	367	351	42.17
30	A	321	307	4.40
31	A	262	250	12.18
32	A	165	158	0.26
33	A	76	72	3.92

Atom	x (Å)	y (Å)	z (Å)
N1	-1.669	0.749	0.256
H2	-2.628	0.439	0.330
H3	-1.403	1.556	0.797
C4	1.669	-0.906	0.263
H5	1.512	-1.337	1.260
H6	1.509	-1.719	-0.453
H7	2.703	-0.558	0.192
C8	1.064	1.463	-0.273
H9	0.343	2.234	-0.531
H10	2.111	1.756	-0.286
C11	-0.746	-0.219	-0.041
O12	-1.070	-1.358	-0.346
C13	0.697	0.205	-0.004

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0104	1.0083	3.7258	3.9344	4.0857	4.5634	2.8743	2.6222	3.9498	1.3701	2.2715	2.4421
H2	1.0104		1.7231	4.5029	4.5998	4.7311	5.4248	3.8788	3.5767	4.9574	2.0279	2.4721	3.3501
H3	1.0083	1.7231		3.9731	4.1331	4.5574	4.6574	2.6908	2.2964	3.6829	2.0705	3.1484	2.6230
C4	3.7258	4.5029	3.9731		1.0970	1.0948	1.0936	2.5039	3.5006	2.7540	2.5290	2.8423	1.5000
H5	3.9344	4.5998	4.1331	1.0970		1.7553	1.7795	3.2241	4.1632	3.5094	2.8356	3.0411	2.1540
H6	4.0857	4.7311	4.5574	1.0948	1.7553		1.7856	3.2179	4.1221	3.5299	2.7393	2.6069	2.1353
H7	4.5634	5.4248	4.6574	1.0936	1.7795	1.7856		2.6430	3.7266	2.4350	3.4730	3.8945	2.1545
C8	2.8743	3.8788	2.6908	2.5039	3.2241	3.2179	2.6430		1.0869	1.0875	2.4819	3.5386	1.3384
H9	2.6222	3.5767	2.2964	3.5006	4.1632	4.1221	3.7266	1.0869		1.8485	2.7286	3.8650	2.1268
H10	3.9498	4.9574	3.6829	2.7540	3.5094	3.5299	2.4350	1.0875	1.8485		3.4819	4.4523	2.1178
C11	1.3701	2.0279	2.0705	2.5290	2.8356	2.7393	3.4730	2.4819	2.7286	3.4819		1.2231	1.5044
O12	2.2715	2.4721	3.1484	2.8423	3.0411	2.6069	3.8945	3.5386	3.8650	4.4523	1.2231		2.3840
C13	2.4421	3.3501	2.6230	1.5000	2.1540	2.1353	2.1545	1.3384	2.1268	2.1178	1.5044	2.3840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.209	C1	H11	H13	116.249
C2	C1	C3	117.210	C2	C1	H11	116.016
C3	C1	H11	120.271	C4	H13	H8	123.703
C4	H13	H11	114.651	O5	C4	N6	106.419
O5	C4	H7	108.651	O5	C4	H13	111.126
N6	C4	H7	109.365	N6	C4	H13	109.765
H7	C4	H13	111.376	H8	H13	H11	121.526
H9	H8	H10	116.455	H9	H8	H13	122.213
H10	H8	H13	121.280	H12	H11	H13	121.526

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B3PW91/6-31G*

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	ESP
1	N	-0.787	-0.894
2	H	0.359	0.404
3	H	0.352	0.374
4	C	-0.567	-0.356
5	H	0.187	0.102
6	H	0.214	0.122
7	H	0.171	0.119
8	C	-0.434	-0.494
9	H	0.172	0.183
10	H	0.174	0.199
11	C	0.554	0.645
12	O	-0.503	-0.510
13	C	0.108	0.106

	x	y	z	Total
	0.281	2.918	1.600	3.339
CHELPG
AIM
ESP	0.323	2.915	1.606	3.343

	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>	163.325
(<r²>)^1/2	12.780

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)