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	hartrees
Energy at 0K	-286.380369
Energy at 298.15K	-286.388032
HF Energy	-286.380369
Nuclear repulsion energy	227.877770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3638	3594	29.74
2	A	3505	3462	24.10
3	A	3155	3117	9.94
4	A	3072	3034	7.21
5	A	3068	3031	10.65
6	A	3031	2995	7.43
7	A	2973	2937	13.22
8	A	1692	1671	251.54
9	A	1642	1622	46.19
10	A	1551	1532	96.04
11	A	1440	1422	20.30
12	A	1415	1398	10.44
13	A	1395	1378	10.82
14	A	1356	1340	8.49
15	A	1335	1319	71.87
16	A	1200	1186	43.17
17	A	1053	1040	1.51
18	A	1029	1017	0.41
19	A	985	973	5.64
20	A	932	921	4.34
21	A	910	899	35.28
22	A	794	784	8.75
23	A	727	718	4.29
24	A	657	649	5.34
25	A	564	557	9.48
26	A	550	543	4.17
27	A	490	484	3.14
28	A	365	361	5.24
29	A	311	307	82.65
30	A	308	305	74.17
31	A	255	252	19.37
32	A	162	160	0.26
33	A	67	66	4.30

Atom	x (Å)	y (Å)	z (Å)
N1	-1.674	0.757	0.257
H2	-2.635	0.443	0.346
H3	-1.397	1.561	0.808
C4	1.669	-0.912	0.268
H5	1.498	-1.349	1.262
H6	1.517	-1.722	-0.458
H7	2.706	-0.559	0.210
C8	1.076	1.461	-0.277
H9	0.356	2.237	-0.536
H10	2.131	1.743	-0.292
C11	-0.748	-0.215	-0.045
O12	-1.081	-1.359	-0.349
C13	0.700	0.201	-0.004

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0152	1.0129	3.7367	3.9381	4.1034	4.5735	2.8885	2.6340	3.9681	1.3761	2.2798	2.4518
H2	1.0152		1.7310	4.5132	4.5973	4.7507	5.4359	3.8984	3.5973	4.9806	2.0364	2.4789	3.3618
H3	1.0129	1.7310		3.9765	4.1304	4.5688	4.6572	2.7028	2.3100	3.6996	2.0746	3.1570	2.6279
C4	3.7367	4.5132	3.9765		1.1000	1.0984	1.0968	2.5055	3.5051	2.7522	2.5351	2.8537	1.5011
H5	3.9381	4.5973	4.1304	1.1000		1.7602	1.7869	3.2315	4.1712	3.5182	2.8359	3.0411	2.1552
H6	4.1034	4.7507	4.5688	1.0984	1.7602		1.7929	3.2185	4.1265	3.5233	2.7515	2.6249	2.1387
H7	4.5735	5.4359	4.6572	1.0968	1.7869	1.7929		2.6401	3.7274	2.4250	3.4803	3.9106	2.1559
C8	2.8885	3.8984	2.7028	2.5055	3.2315	3.2185	2.6401		1.0903	1.0913	2.4875	3.5509	1.3424
H9	2.6340	3.5973	2.3100	3.5051	4.1712	4.1265	3.7274	1.0903		1.8582	2.7327	3.8764	2.1317
H10	3.9681	4.9806	3.6996	2.7522	3.5182	3.5233	2.4250	1.0913	1.8582		3.4896	4.4651	2.1227
C11	1.3761	2.0364	2.0746	2.5351	2.8359	2.7515	3.4803	2.4875	2.7327	3.4896		1.2298	1.5069
O12	2.2798	2.4789	3.1570	2.8537	3.0411	2.6249	3.9106	3.5509	3.8764	4.4651	1.2298		2.3927
C13	2.4518	3.3618	2.6279	1.5011	2.1552	2.1387	2.1559	1.3424	2.1317	2.1227	1.5069	2.3927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	121.956	C1	H11	H13	116.446
C2	C1	C3	117.200	C2	C1	H11	115.949
C3	C1	H11	119.770	C4	H13	H8	123.467
C4	H13	H11	114.876	O5	C4	N6	106.395
O5	C4	H7	108.857	O5	C4	H13	110.971
N6	C4	H7	109.519	N6	C4	H13	109.756
H7	C4	H13	111.216	H8	H13	H11	121.523
H9	H8	H10	116.802	H9	H8	H13	122.051
H10	H8	H13	121.091	H12	H11	H13	121.593

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: PBEPBE/Def2TZVPP

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	-0.245
2	H	0.179
3	H	0.169
4	C	-0.215
5	H	0.088
6	H	0.113
7	H	0.075
8	C	-0.203
9	H	0.086
10	H	0.087
11	C	0.197
12	O	-0.312
13	C	-0.020

	x	y	z	Total
	0.291	2.959	1.426	3.298
CHELPG
AIM
ESP

	x	y	z
x	10.197	0.297	-0.220
y	0.297	11.029	-0.135
z	-0.220	-0.135	6.402

<r²>	164.738
(<r²>)^1/2	12.835

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)