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	hartrees
Energy at 0K	-282.766431
Energy at 298.15K	-282.773463
Nuclear repulsion energy	220.233257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3615	3345	1.45
2	A	3433	3177	0.45
3	A	3406	3151	1.39
4	A	3378	3126	0.61
5	A	3340	3090	1.18
6	A	3285	3040	8.95
7	A	3197	2958	1.40
8	A	1754	1623	15.35
9	A	1736	1606	23.76
10	A	1692	1565	13.09
11	A	1630	1508	4.54
12	A	1613	1492	4.98
13	A	1517	1403	2.51
14	A	1500	1388	0.59
15	A	1332	1233	19.86
16	A	1229	1138	49.08
17	A	1118	1034	2.88
18	A	1087	1006	32.30
19	A	1048	969	5.61
20	A	960	889	1.44
21	A	934	864	21.02
22	A	772	714	4.44
23	A	720	666	41.86
24	A	662	612	96.77
25	A	595	551	47.53
26	A	507	469	20.86
27	A	476	440	25.06
28	A	399	369	30.68
29	A	340	315	1.06
30	A	294	272	7.86
31	A	221	205	1.43
32	A	85	79	0.54
33	A	69	64	1.54

Atom	x (Å)	y (Å)	z (Å)
N1	-1.741	0.839	0.171
H2	-2.685	0.428	0.438
H3	-1.437	1.500	0.945
C4	1.754	-0.912	0.242
H5	1.757	-1.209	1.313
H6	1.472	-1.808	-0.351
H7	2.777	-0.592	-0.038
C8	1.082	1.504	-0.258
H9	0.332	2.286	-0.470
H10	2.141	1.819	-0.280
C11	-0.760	-0.260	-0.029
O12	-1.122	-1.449	-0.304
C13	0.725	0.218	-0.009

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0637	1.0629	3.9096	4.2106	4.1956	4.7433	2.9311	2.6080	4.0287	1.4864	2.4173	2.5491
H2	1.0637		1.7220	4.6410	4.8139	4.7860	5.5765	3.9784	3.6576	5.0732	2.0966	2.5529	3.4455
H3	1.0629	1.7220		4.0619	4.2041	4.5926	4.8063	2.7911	2.3978	3.7952	2.1231	3.2187	2.6889
C4	3.9096	4.6410	4.0619		1.1121	1.1107	1.1077	2.5571	3.5719	2.8070	2.6115	2.9759	1.5490
H5	4.2106	4.8139	4.2041	1.1121		1.7919	1.8022	3.2065	4.1743	3.4427	3.0061	3.3102	2.2022
H6	4.1956	4.7860	4.5926	1.1107	1.7919		1.8110	3.3363	4.2519	3.6886	2.7357	2.6192	2.1865
H7	4.7433	5.5765	4.8063	1.1077	1.8022	1.8110		2.7044	3.8009	2.5046	3.5527	4.0007	2.2061
C8	2.9311	3.9784	2.7911	2.5571	3.2065	3.3363	2.7044		1.1042	1.1052	2.5607	3.6848	1.3573
H9	2.6080	3.6576	2.3978	3.5719	4.1743	4.2519	3.8009	1.1042		1.8779	2.8058	4.0118	2.1550
H10	4.0287	5.0732	3.7952	2.8070	3.4427	3.6886	2.5046	1.1052	1.8779		3.5780	4.6178	2.1540
C11	1.4864	2.0966	2.1231	2.6115	3.0061	2.7357	3.5527	2.5607	2.8058	3.5780		1.2726	1.5605
O12	2.4173	2.5529	3.2187	2.9759	3.3102	2.6192	4.0007	3.6848	4.0118	4.6178	1.2726		2.5054
C13	2.5491	3.4455	2.6889	1.5490	2.2022	2.1865	2.2061	1.3573	2.1550	2.1540	1.5605	2.5054

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.175	C1	H11	H13	113.543
C2	C1	C3	108.143	C2	C1	H11	109.491
C3	C1	H11	111.703	C4	H13	H8	123.114
C4	H13	H11	114.249	O5	C4	N6	107.445
O5	C4	H7	108.562	O5	C4	H13	110.626
N6	C4	H7	109.445	N6	C4	H13	109.489
H7	C4	H13	111.190	H8	H13	H11	122.559
H9	H8	H10	116.419	H9	H8	H13	121.875
H10	H8	H13	121.692	H12	H11	H13	124.016

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: BLYP/STO-3G

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	-0.347
2	H	0.178
3	H	0.178
4	C	-0.218
5	H	0.080
6	H	0.089
7	H	0.079
8	C	-0.158
9	H	0.080
10	H	0.075
11	C	0.170
12	O	-0.193
13	C	-0.012

	x	y	z	Total
	0.178	1.294	1.677	2.126
CHELPG
AIM
ESP

	x	y	z
x	5.687	0.431	-0.202
y	0.431	6.301	0.038
z	-0.202	0.038	2.101

<r²>	172.622
(<r²>)^1/2	13.139

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)