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	hartrees
Energy at 0K	-52.610774
Energy at 298.15K	-52.618419
Nuclear repulsion energy	122.818958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3758	3598	36.25
2	A	3624	3469	40.99
3	A	3244	3105	15.55
4	A	3179	3043	17.85
5	A	3168	3033	7.90
6	A	3154	3019	17.48
7	A	3080	2948	16.85
8	A	1798	1721	307.30
9	A	1719	1646	50.59
10	A	1607	1538	122.46
11	A	1480	1417	19.72
12	A	1464	1401	12.60
13	A	1429	1368	29.40
14	A	1425	1364	19.91
15	A	1376	1317	50.84
16	A	1220	1167	54.19
17	A	1073	1027	0.76
18	A	1046	1001	1.78
19	A	1000	958	7.80
20	A	950	909	63.63
21	A	936	896	5.61
22	A	803	769	11.39
23	A	750	718	4.13
24	A	660	631	10.28
25	A	560	536	24.41
26	A	543	520	17.37
27	A	478	458	7.02
28	A	359	344	147.88
29	A	337	322	61.56
30	A	297	285	7.81
31	A	239	229	11.87
32	A	167	160	0.28
33	A	68	65	4.28

Atom	x (Å)	y (Å)	z (Å)
N1	-1.686	0.756	0.238
H2	-2.646	0.437	0.320
H3	-1.417	1.576	0.768
C4	1.696	-0.915	0.246
H5	1.530	-1.376	1.234
H6	1.549	-1.711	-0.500
H7	2.732	-0.550	0.192
C8	1.061	1.495	-0.258
H9	0.322	2.262	-0.507
H10	2.113	1.800	-0.270
C11	-0.752	-0.228	-0.038
O12	-1.081	-1.382	-0.325
C13	0.705	0.203	-0.001

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0147	1.0131	3.7722	3.9844	4.1341	4.6069	2.8877	2.6180	3.9721	1.3835	2.2912	2.4654
H2	1.0147		1.7341	4.5484	4.6431	4.7835	5.4692	3.8981	3.5804	4.9849	2.0385	2.4846	3.3742
H3	1.0131	1.7341		4.0210	4.1966	4.6051	4.6973	2.6835	2.2627	3.6859	2.0840	3.1705	2.6417
C4	3.7722	4.5484	4.0210		1.1027	1.1011	1.0996	2.5430	3.5431	2.7953	2.5589	2.8729	1.5143
H5	3.9844	4.6431	4.1966	1.1027		1.7663	1.7927	3.2694	4.2105	3.5624	2.8535	3.0402	2.1673
H6	4.1341	4.7835	4.6051	1.1011	1.7663		1.7966	3.2522	4.1587	3.5641	2.7765	2.6556	2.1504
H7	4.6069	5.4692	4.6973	1.0996	1.7927	1.7966		2.6789	3.7695	2.4742	3.5066	3.9362	2.1709
C8	2.8877	3.8981	2.6835	2.5430	3.2694	3.2522	2.6789		1.0945	1.0949	2.5111	3.5870	1.3651
H9	2.6180	3.5804	2.2627	3.5431	4.2105	4.1587	3.7695	1.0945		1.8650	2.7520	3.9085	2.1553
H10	3.9721	4.9849	3.6859	2.7953	3.5624	3.5641	2.4742	1.0949	1.8650		3.5178	4.5082	2.1463
C11	1.3835	2.0385	2.0840	2.5589	2.8535	2.7765	3.5066	2.5111	2.7520	3.5178		1.2335	1.5199
O12	2.2912	2.4846	3.1705	2.8729	3.0402	2.6556	3.9362	3.5870	3.9085	4.5082	1.2335		2.4089
C13	2.4654	3.3742	2.6417	1.5143	2.1673	2.1504	2.1709	1.3651	2.1553	2.1463	1.5199	2.4089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.104	C1	H11	H13	116.162
C2	C1	C3	117.552	C2	C1	H11	115.567
C3	C1	H11	120.024	C4	H13	H8	123.971
C4	H13	H11	114.992	O5	C4	N6	106.540
O5	C4	H7	108.975	O5	C4	H13	110.838
N6	C4	H7	109.446	N6	C4	H13	109.603
H7	C4	H13	111.315	H8	H13	H11	120.917
H9	H8	H10	116.820	H9	H8	H13	122.013
H10	H8	H13	121.107	H12	H11	H13	121.716

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B1B95/CEP-31G*

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	-0.366
2	H	0.337
3	H	0.327
4	C	-0.403
5	H	0.141
6	H	0.177
7	H	0.167
8	C	-0.664
9	H	0.228
10	H	0.235
11	C	-0.347
12	O	-0.116
13	C	0.283

	x	y	z	Total
	0.400	3.134	1.607	3.545
CHELPG
AIM
ESP

	x	y	z
x	8.263	0.468	-0.132
y	0.468	9.920	-0.215
z	-0.132	-0.215	4.772

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B1B95/CEP-31G*

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)