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	hartrees
Energy at 0K	-286.586092
Energy at 298.15K	-286.593983
Nuclear repulsion energy	230.214499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3763	3602	37.20
2	A	3628	3472	36.65
3	A	3245	3106	10.44
4	A	3161	3026	5.32
5	A	3159	3023	11.45
6	A	3125	2991	9.38
7	A	3062	2931	13.72
8	A	1793	1716	292.53
9	A	1721	1647	43.72
10	A	1619	1549	117.96
11	A	1490	1426	22.03
12	A	1465	1402	10.28
13	A	1447	1385	15.88
14	A	1416	1355	23.49
15	A	1389	1329	56.36
16	A	1245	1191	44.74
17	A	1102	1055	1.23
18	A	1068	1023	0.59
19	A	1015	972	6.13
20	A	968	926	20.80
21	A	959	917	18.49
22	A	833	797	13.02
23	A	756	723	4.49
24	A	682	653	7.91
25	A	578	554	13.75
26	A	569	545	3.51
27	A	503	482	3.53
28	A	378	362	30.85
29	A	339	325	129.32
30	A	327	313	16.74
31	A	259	248	18.63
32	A	161	154	0.22
33	A	71	68	4.33

Atom	x (Å)	y (Å)	z (Å)
N1	-1.663	0.734	0.249
H2	-2.620	0.441	0.303
H3	-1.393	1.572	0.725
C4	1.663	-0.895	0.250
H5	1.514	-1.323	1.241
H6	1.493	-1.701	-0.460
H7	2.687	-0.544	0.168
C8	1.046	1.461	-0.260
H9	0.319	2.222	-0.503
H10	2.085	1.757	-0.274
C11	-0.741	-0.222	-0.038
O12	-1.051	-1.358	-0.329
C13	0.693	0.207	-0.003

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0027	1.0005	3.7028	3.9122	4.0480	4.5348	2.8506	2.5895	3.9203	1.3586	2.2551	2.4268
H2	1.0027		1.7207	4.4869	4.5917	4.6998	5.4002	3.8471	3.5295	4.9201	2.0219	2.4700	3.3355
H3	1.0005	1.7207		3.9557	4.1348	4.5212	4.6303	2.6331	2.2048	3.6240	2.0555	3.1325	2.5967
C4	3.7028	4.4869	3.9557		1.0897	1.0879	1.0860	2.4879	3.4764	2.7361	2.5127	2.8135	1.4899
H5	3.9122	4.5917	4.1348	1.0897		1.7429	1.7704	3.1972	4.1273	3.4799	2.8165	3.0076	2.1364
H6	4.0480	4.6998	4.5212	1.0879	1.7429		1.7776	3.1994	4.0946	3.5133	2.7118	2.5701	2.1190
H7	4.5348	5.4002	4.6303	1.0860	1.7704	1.7776		2.6266	3.7031	2.4199	3.4498	3.8584	2.1385
C8	2.8506	3.8471	2.6331	2.4879	3.1972	3.1994	2.6266		1.0802	1.0806	2.4651	3.5147	1.3275
H9	2.5895	3.5295	2.2048	3.4764	4.1273	4.0946	3.7031	1.0802		1.8408	2.7040	3.8372	2.1087
H10	3.9203	4.9201	3.6240	2.7361	3.4799	3.5133	2.4199	1.0806	1.8408		3.4586	4.4212	2.1009
C11	1.3586	2.0219	2.0555	2.5127	2.8165	2.7118	3.4498	2.4651	2.7040	3.4586		1.2132	1.4973
O12	2.2551	2.4700	3.1325	2.8135	3.0076	2.5701	3.8584	3.5147	3.8372	4.4212	1.2132		2.3664
C13	2.4268	3.3355	2.5967	1.4899	2.1364	2.1190	2.1385	1.3275	2.1087	2.1009	1.4973	2.3664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.432	C1	H11	H13	116.283
C2	C1	C3	118.404	C2	C1	H11	117.005
C3	C1	H11	120.466	C4	H13	H8	123.933
C4	H13	H11	114.526	O5	C4	N6	106.339
O5	C4	H7	108.923	O5	C4	H13	110.879
N6	C4	H7	109.711	N6	C4	H13	109.592
H7	C4	H13	111.271	H8	H13	H11	121.423
H9	H8	H10	116.848	H9	H8	H13	121.954
H10	H8	H13	121.153	H12	H11	H13	121.275

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B1B95/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	-0.259
2	H	0.174
3	H	0.179
4	C	-0.341
5	H	0.125
6	H	0.143
7	H	0.107
8	C	-0.347
9	H	0.128
10	H	0.131
11	C	0.244
12	O	-0.340
13	C	0.058

	x	y	z	Total
	0.285	3.043	1.371	3.350
CHELPG
AIM
ESP

	x	y	z
x	9.264	0.295	-0.174
y	0.295	10.318	-0.178
z	-0.174	-0.178	5.692

<r²>	161.627
(<r²>)^1/2	12.713

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B1B95/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)