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	hartrees
Energy at 0K	-286.281015
Energy at 298.15K	-286.288740
Nuclear repulsion energy	227.635706

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3644	3606	25.33
2	A	3510	3474	22.01
3	A	3166	3133	9.80
4	A	3082	3051	9.54
5	A	3081	3049	5.86
6	A	3044	3013	8.22
7	A	2978	2947	13.53
8	A	1724	1706	210.16
9	A	1651	1634	23.48
10	A	1552	1536	92.32
11	A	1440	1425	18.88
12	A	1415	1401	9.09
13	A	1397	1382	12.21
14	A	1353	1339	14.27
15	A	1334	1321	58.71
16	A	1199	1187	38.79
17	A	1059	1048	2.64
18	A	1030	1020	0.86
19	A	981	971	4.53
20	A	933	923	4.18
21	A	906	897	29.88
22	A	799	791	9.88
23	A	729	721	5.26
24	A	656	649	8.28
25	A	561	556	18.04
26	A	547	541	2.63
27	A	488	483	4.17
28	A	374	370	117.21
29	A	355	352	47.60
30	A	314	311	3.90
31	A	258	255	11.91
32	A	155	153	0.31
33	A	73	72	3.82

Atom	x (Å)	y (Å)	z (Å)
N1	-1.673	0.761	0.242
H2	-2.636	0.449	0.329
H3	-1.398	1.577	0.776
C4	1.668	-0.915	0.253
H5	1.545	-1.322	1.272
H6	1.455	-1.748	-0.435
H7	2.710	-0.585	0.129
C8	1.073	1.471	-0.264
H9	0.349	2.251	-0.512
H10	2.128	1.761	-0.278
C11	-0.748	-0.221	-0.039
O12	-1.075	-1.369	-0.333
C13	0.699	0.206	-0.002

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0154	1.0136	3.7381	3.9697	4.0670	4.5863	2.8815	2.6227	3.9647	1.3780	2.2852	2.4488
H2	1.0154		1.7332	4.5152	4.6372	4.7059	5.4480	3.8925	3.5866	4.9780	2.0366	2.4853	3.3601
H3	1.0136	1.7332		3.9853	4.1608	4.5456	4.6867	2.6832	2.2732	3.6847	2.0779	3.1638	2.6237
C4	3.7381	4.5152	3.9853		1.1039	1.1016	1.0996	2.5124	3.5137	2.7660	2.5304	2.8414	1.5032
H5	3.9697	4.6372	4.1608	1.1039		1.7617	1.7903	3.2220	4.1689	3.4992	2.8613	3.0728	2.1617
H6	4.0670	4.7059	4.5456	1.1016	1.7617		1.8013	3.2459	4.1495	3.5759	2.7097	2.5605	2.1393
H7	4.5863	5.4480	4.6867	1.0996	1.7903	1.8013		2.6567	3.7449	2.4506	3.4805	3.8924	2.1642
C8	2.8815	3.8925	2.6832	2.5124	3.2220	3.2459	2.6567		1.0929	1.0938	2.4955	3.5610	1.3448
H9	2.6227	3.5866	2.2732	3.5137	4.1689	4.1495	3.7449	1.0929		1.8599	2.7450	3.8934	2.1365
H10	3.9647	4.9780	3.6847	2.7660	3.4992	3.5759	2.4506	1.0938	1.8599		3.5002	4.4779	2.1293
C11	1.3780	2.0366	2.0779	2.5304	2.8613	2.7097	3.4805	2.4955	2.7450	3.5002		1.2293	1.5090
O12	2.2852	2.4853	3.1638	2.8414	3.0728	2.5605	3.8924	3.5610	3.8934	4.4779	1.2293		2.3950
C13	2.4488	3.3601	2.6237	1.5032	2.1617	2.1393	2.1642	1.3448	2.1365	2.1293	1.5090	2.3950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.340	C1	H11	H13	115.970
C2	C1	C3	117.347	C2	C1	H11	115.801
C3	C1	H11	119.884	C4	H13	H8	123.718
C4	H13	H11	114.292	O5	C4	N6	106.024
O5	C4	H7	108.682	O5	C4	H13	111.098
N6	C4	H7	109.846	N6	C4	H13	109.465
H7	C4	H13	111.571	H8	H13	H11	121.858
H9	H8	H10	116.541	H9	H8	H13	122.093
H10	H8	H13	121.319	H12	H11	H13	121.668

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: PBEPBE/6-31G(2df,p)

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	-0.528
2	H	0.260
3	H	0.257
4	C	-0.502
5	H	0.144
6	H	0.166
7	H	0.126
8	C	-0.418
9	H	0.120
10	H	0.124
11	C	0.330
12	O	-0.332
13	C	0.252

	x	y	z	Total
	0.168	2.696	1.435	3.059
CHELPG
AIM
ESP

	x	y	z
x	9.277	0.290	-0.197
y	0.290	9.944	-0.183
z	-0.197	-0.183	5.033

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)