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	hartrees
Energy at 0K	-286.561477
Energy at 298.15K	-286.569339
Nuclear repulsion energy	228.828671

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3787	3605	46.18
2	A	3645	3469	42.15
3	A	3271	3113	8.87
4	A	3183	3029	5.34
5	A	3176	3023	11.18
6	A	3145	2994	8.47
7	A	3073	2925	15.34
8	A	1792	1706	330.06
9	A	1721	1638	56.39
10	A	1628	1549	122.79
11	A	1500	1428	23.85
12	A	1477	1406	12.14
13	A	1454	1384	17.20
14	A	1427	1358	19.86
15	A	1397	1330	70.12
16	A	1248	1188	50.43
17	A	1101	1048	0.51
18	A	1071	1020	0.61
19	A	1025	975	6.90
20	A	967	920	8.47
21	A	957	911	42.10
22	A	824	784	13.36
23	A	759	723	3.60
24	A	683	651	8.47
25	A	579	552	12.80
26	A	571	543	6.89
27	A	508	484	3.20
28	A	378	360	22.45
29	A	335	319	173.87
30	A	318	303	5.89
31	A	259	246	19.39
32	A	168	160	0.34
33	A	72	69	4.75

Atom	x (Å)	y (Å)	z (Å)
N1	-1.663	0.739	0.291
H2	-2.628	0.454	0.324
H3	-1.393	1.572	0.784
C4	1.662	-0.908	0.282
H5	1.490	-1.329	1.278
H6	1.513	-1.723	-0.430
H7	2.694	-0.558	0.222
C8	1.069	1.454	-0.292
H9	0.352	2.222	-0.562
H10	2.116	1.737	-0.308
C11	-0.746	-0.213	-0.043
O12	-1.075	-1.344	-0.374
C13	0.698	0.201	-0.006

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0071	1.0048	3.7108	3.8975	4.0827	4.5462	2.8828	2.6426	3.9540	1.3635	2.2641	2.4393
H2	1.0071		1.7283	4.5014	4.5875	4.7387	5.4181	3.8787	3.5762	4.9551	2.0301	2.4758	3.3517
H3	1.0048	1.7283		3.9671	4.1194	4.5582	4.6428	2.6890	2.2972	3.6787	2.0712	3.1533	2.6221
C4	3.7108	4.5014	3.9671		1.0944	1.0927	1.0911	2.5022	3.4970	2.7481	2.5275	2.8484	1.4974
H5	3.8975	4.5875	4.1194	1.0944		1.7530	1.7770	3.2224	4.1579	3.5079	2.8262	3.0508	2.1478
H6	4.0827	4.7387	4.5582	1.0927	1.7530		1.7827	3.2111	4.1150	3.5150	2.7445	2.6163	2.1322
H7	4.5462	5.4181	4.6428	1.0911	1.7770	1.7827		2.6369	3.7189	2.4254	3.4673	3.8959	2.1474
C8	2.8828	3.8787	2.6890	2.5022	3.2224	3.2111	2.6369		1.0850	1.0853	2.4770	3.5256	1.3379
H9	2.6426	3.5762	2.2972	3.4970	4.1579	4.1150	3.7189	1.0850		1.8475	2.7215	3.8455	2.1250
H10	3.9540	4.9551	3.6787	2.7481	3.5079	3.5150	2.4254	1.0853	1.8475		3.4739	4.4365	2.1128
C11	1.3635	2.0301	2.0712	2.5275	2.8262	2.7445	3.4673	2.4770	2.7215	3.4739		1.2229	1.5026
O12	2.2641	2.4758	3.1533	2.8484	3.0508	2.6163	3.8959	3.5256	3.8455	4.4365	1.2229		2.3801
C13	2.4393	3.3517	2.6221	1.4974	2.1478	2.1322	2.1474	1.3379	2.1250	2.1128	1.5026	2.3801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.080	C1	H11	H13	116.575
C2	C1	C3	118.427	C2	C1	H11	117.025
C3	C1	H11	121.243	C4	H13	H8	123.798
C4	H13	H11	114.805	O5	C4	N6	106.544
O5	C4	H7	108.798	O5	C4	H13	110.971
N6	C4	H7	109.438	N6	C4	H13	109.826
H7	C4	H13	111.144	H8	H13	H11	121.275
H9	H8	H10	116.704	H9	H8	H13	122.236
H10	H8	H13	121.005	H12	H11	H13	121.338

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: mPW1PW91/6-31+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	-0.575
2	H	0.337
3	H	0.311
4	C	-0.742
5	H	0.187
6	H	0.211
7	H	0.166
8	C	-0.469
9	H	0.159
10	H	0.164
11	C	0.249
12	O	-0.500
13	C	0.502

	x	y	z	Total
	0.470	3.206	1.538	3.587
CHELPG
AIM
ESP

	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>	163.585
(<r²>)^1/2	12.790

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)