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	hartrees
Energy at 0K	-286.583129
Energy at 298.15K	-286.590997
Nuclear repulsion energy	228.790403

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3764	3607	38.70
2	A	3623	3472	35.77
3	A	3264	3128	8.78
4	A	3171	3038	5.27
5	A	3169	3037	11.44
6	A	3136	3005	8.87
7	A	3063	2935	14.29
8	A	1776	1702	295.69
9	A	1716	1644	71.17
10	A	1614	1546	117.62
11	A	1475	1413	25.70
12	A	1449	1388	13.56
13	A	1437	1377	16.64
14	A	1416	1357	27.74
15	A	1381	1323	42.22
16	A	1241	1189	44.41
17	A	1095	1049	1.07
18	A	1058	1014	0.49
19	A	1015	972	7.55
20	A	963	923	8.10
21	A	955	916	31.99
22	A	824	790	11.79
23	A	759	728	3.78
24	A	676	648	7.43
25	A	579	554	13.86
26	A	567	544	5.91
27	A	506	485	3.60
28	A	377	362	8.26
29	A	326	312	30.73
30	A	315	302	129.35
31	A	259	248	22.95
32	A	173	166	0.30
33	A	69	66	4.47

Atom	x (Å)	y (Å)	z (Å)
N1	-1.667	0.740	0.274
H2	-2.631	0.448	0.319
H3	-1.397	1.576	0.764
C4	1.666	-0.906	0.271
H5	1.482	-1.350	1.258
H6	1.528	-1.710	-0.463
H7	2.698	-0.544	0.229
C8	1.064	1.459	-0.281
H9	0.341	2.231	-0.540
H10	2.115	1.747	-0.296
C11	-0.745	-0.216	-0.041
O12	-1.070	-1.351	-0.358
C13	0.697	0.202	-0.004

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0079	1.0059	3.7165	3.9049	4.0928	4.5503	2.8782	2.6301	3.9549	1.3647	2.2643	2.4401
H2	1.0079		1.7296	4.5048	4.5855	4.7502	5.4213	3.8773	3.5701	4.9583	2.0312	2.4763	3.3522
H3	1.0059	1.7296		3.9721	4.1338	4.5665	4.6421	2.6760	2.2691	3.6721	2.0695	3.1513	2.6191
C4	3.7165	4.5048	3.9721		1.0983	1.0968	1.0949	2.5017	3.5000	2.7493	2.5267	2.8416	1.4968
H5	3.9049	4.5855	4.1338	1.0983		1.7585	1.7854	3.2302	4.1663	3.5223	2.8162	3.0201	2.1487
H6	4.0928	4.7502	4.5665	1.0968	1.7585		1.7905	3.2078	4.1163	3.5098	2.7526	2.6246	2.1344
H7	4.5503	5.4213	4.6421	1.0949	1.7854	1.7905		2.6353	3.7217	2.4219	3.4696	3.8978	2.1487
C8	2.8782	3.8773	2.6760	2.5017	3.2302	3.2078	2.6353		1.0890	1.0895	2.4777	3.5293	1.3388
H9	2.6301	3.5701	2.2691	3.5000	4.1663	4.1163	3.7217	1.0890		1.8551	2.7235	3.8538	2.1286
H10	3.9549	4.9583	3.6721	2.7493	3.5223	3.5098	2.4219	1.0895	1.8551		3.4784	4.4430	2.1173
C11	1.3647	2.0312	2.0695	2.5267	2.8162	2.7526	3.4696	2.4777	2.7235	3.4784		1.2220	1.5020
O12	2.2643	2.4763	3.1513	2.8416	3.0201	2.6246	3.8978	3.5293	3.8538	4.4430	1.2220		2.3785
C13	2.4401	3.3522	2.6191	1.4968	2.1487	2.1344	2.1487	1.3388	2.1286	2.1173	1.5020	2.3785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.075	C1	H11	H13	116.598
C2	C1	C3	118.387	C2	C1	H11	116.968
C3	C1	H11	120.871	C4	H13	H8	123.730
C4	H13	H11	114.827	O5	C4	N6	106.467
O5	C4	H7	108.990	O5	C4	H13	110.852
N6	C4	H7	109.560	N6	C4	H13	109.799
H7	C4	H13	111.058	H8	H13	H11	121.319
H9	H8	H10	116.760	H9	H8	H13	122.173
H10	H8	H13	121.021	H12	H11	H13	121.317

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: mPW1PW91/aug-cc-pVDZ

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	-0.054
2	H	-0.028
3	H	-0.048
4	C	0.141
5	H	0.043
6	H	0.029
7	H	-0.193
8	C	0.870
9	H	-0.546
10	H	-0.526
11	C	0.525
12	O	-0.658
13	C	0.443

	x	y	z	Total
	0.456	3.116	1.431	3.459
CHELPG
AIM
ESP

	x	y	z
x	10.055	0.337	-0.186
y	0.337	11.102	-0.105
z	-0.186	-0.105	6.814

<r²>	163.618
(<r²>)^1/2	12.791

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)