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	hartrees
Energy at 0K	-286.549670
Energy at 298.15K	-286.557565
Nuclear repulsion energy	229.561486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3749	3594	25.15
2	A	3619	3470	27.97
3	A	3234	3100	15.52
4	A	3153	3022	16.84
5	A	3151	3020	7.08
6	A	3121	2991	14.31
7	A	3057	2930	17.52
8	A	1800	1726	295.98
9	A	1719	1648	36.69
10	A	1647	1579	113.72
11	A	1505	1443	21.07
12	A	1482	1421	11.53
13	A	1451	1390	17.68
14	A	1423	1364	15.88
15	A	1392	1334	75.22
16	A	1246	1194	46.24
17	A	1108	1062	2.04
18	A	1070	1026	0.47
19	A	1021	979	5.08
20	A	963	923	5.32
21	A	943	904	40.59
22	A	829	794	17.99
23	A	755	724	5.03
24	A	686	658	11.19
25	A	581	557	20.22
26	A	570	546	5.87
27	A	507	486	4.20
28	A	378	362	82.21
29	A	355	340	130.70
30	A	319	306	4.85
31	A	260	249	15.02
32	A	169	162	0.21
33	A	77	74	3.52

Atom	x (Å)	y (Å)	z (Å)
N1	-1.663	0.738	0.262
H2	-2.623	0.442	0.317
H3	-1.397	1.552	0.785
C4	1.663	-0.898	0.264
H5	1.519	-1.316	1.263
H6	1.489	-1.714	-0.438
H7	2.694	-0.557	0.175
C8	1.051	1.461	-0.275
H9	0.325	2.222	-0.535
H10	2.093	1.760	-0.292
C11	-0.743	-0.223	-0.041
O12	-1.057	-1.355	-0.349
C13	0.695	0.207	-0.002

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0057	1.0038	3.7068	3.9172	4.0546	4.5466	2.8599	2.6058	3.9324	1.3641	2.2627	2.4310
H2	1.0057		1.7191	4.4910	4.5978	4.7041	5.4122	3.8584	3.5470	4.9347	2.0258	2.4746	3.3409
H3	1.0038	1.7191		3.9547	4.1181	4.5272	4.6434	2.6692	2.2700	3.6585	2.0639	3.1389	2.6080
C4	3.7068	4.4910	3.9547		1.0930	1.0907	1.0894	2.4957	3.4878	2.7495	2.5177	2.8257	1.4933
H5	3.9172	4.5978	4.1181	1.0930		1.7473	1.7729	3.2089	4.1448	3.4950	2.8304	3.0388	2.1447
H6	4.0546	4.7041	4.5272	1.0907	1.7473		1.7794	3.2094	4.1064	3.5297	2.7139	2.5729	2.1246
H7	4.5466	5.4122	4.6434	1.0894	1.7729	1.7794		2.6410	3.7209	2.4393	3.4602	3.8707	2.1482
C8	2.8599	3.8584	2.6692	2.4957	3.2089	3.2094	2.6410		1.0841	1.0844	2.4713	3.5181	1.3318
H9	2.6058	3.5470	2.2700	3.4878	4.1448	4.1064	3.7209	1.0841		1.8441	2.7130	3.8390	2.1170
H10	3.9324	4.9347	3.6585	2.7495	3.4950	3.5297	2.4393	1.0844	1.8441		3.4697	4.4306	2.1103
C11	1.3641	2.0258	2.0639	2.5177	2.8304	2.7139	3.4602	2.4713	2.7130	3.4697		1.2147	1.5007
O12	2.2627	2.4746	3.1389	2.8257	3.0388	2.5729	3.8707	3.5181	3.8390	4.4306	1.2147		2.3723
C13	2.4310	3.3409	2.6080	1.4933	2.1447	2.1246	2.1482	1.3318	2.1170	2.1103	1.5007	2.3723

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.554	C1	H11	H13	116.028
C2	C1	C3	117.621	C2	C1	H11	116.670
C3	C1	H11	120.533	C4	H13	H8	124.006
C4	H13	H11	114.467	O5	C4	N6	106.292
O5	C4	H7	108.654	O5	C4	H13	111.100
N6	C4	H7	109.410	N6	C4	H13	109.630
H7	C4	H13	111.601	H8	H13	H11	121.377
H9	H8	H10	116.514	H9	H8	H13	122.061
H10	H8	H13	121.369	H12	H11	H13	121.406

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B1B95/6-311G*

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	-0.795
2	H	0.357
3	H	0.356
4	C	-0.693
5	H	0.235
6	H	0.256
7	H	0.220
8	C	-0.448
9	H	0.218
10	H	0.220
11	C	0.472
12	O	-0.360
13	C	-0.037

	x	y	z	Total
	0.217	2.985	1.530	3.362
CHELPG
AIM
ESP

	x	y	z
x	8.614	0.337	-0.187
y	0.337	9.796	-0.212
z	-0.187	-0.212	5.003

<r²>	162.240
(<r²>)^1/2	12.737

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B1B95/6-311G*

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)