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	hartrees
Energy at 0K	-286.523240
Energy at 298.15K	-286.531154
Nuclear repulsion energy	228.408417

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3716	3586	33.96
2	A	3579	3453	31.33
3	A	3248	3134	8.65
4	A	3159	3048	10.06
5	A	3152	3042	4.28
6	A	3124	3015	8.49
7	A	3050	2943	15.00
8	A	1795	1732	257.34
9	A	1712	1652	36.40
10	A	1586	1531	112.05
11	A	1460	1409	25.58
12	A	1437	1386	11.94
13	A	1422	1372	21.37
14	A	1405	1356	23.62
15	A	1370	1322	37.71
16	A	1235	1192	39.81
17	A	1096	1058	3.29
18	A	1053	1017	0.76
19	A	1005	970	5.77
20	A	956	922	4.68
21	A	941	908	29.49
22	A	826	798	15.98
23	A	755	729	6.22
24	A	673	650	10.64
25	A	577	557	19.73
26	A	557	538	13.46
27	A	509	491	3.99
28	A	392	378	141.91
29	A	369	356	29.28
30	A	327	316	4.67
31	A	264	255	10.97
32	A	166	160	0.33
33	A	73	70	4.54

Atom	x (Å)	y (Å)	z (Å)
N1	-1.676	0.750	0.227
H2	-2.632	0.424	0.318
H3	-1.412	1.551	0.786
C4	1.671	-0.905	0.244
H5	1.525	-1.345	1.245
H6	1.493	-1.717	-0.477
H7	2.710	-0.558	0.159
C8	1.061	1.473	-0.255
H9	0.328	2.247	-0.495
H10	2.114	1.767	-0.268
C11	-0.746	-0.221	-0.038
O12	-1.062	-1.367	-0.321
C13	0.697	0.207	-0.000

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0138	1.0115	3.7342	3.9594	4.0777	4.5775	2.8716	2.6037	3.9552	1.3711	2.2719	2.4456
H2	1.0138		1.7251	4.5043	4.6125	4.7152	5.4337	3.8813	3.5700	4.9667	2.0252	2.4666	3.3516
H3	1.0115	1.7251		3.9792	4.1509	4.5517	4.6727	2.6846	2.2704	3.6866	2.0651	3.1409	2.6221
C4	3.7342	4.5043	3.9792		1.1025	1.1004	1.0985	2.5052	3.5050	2.7567	2.5274	2.8285	1.4984
H5	3.9594	4.6125	4.1509	1.1025		1.7614	1.7891	3.2258	4.1668	3.5100	2.8399	3.0241	2.1553
H6	4.0777	4.7152	4.5517	1.1004	1.7614		1.7967	3.2268	4.1317	3.5454	2.7281	2.5831	2.1363
H7	4.5775	5.4337	4.6727	1.0985	1.7891	1.7967		2.6485	3.7373	2.4381	3.4774	3.8869	2.1588
C8	2.8716	3.8813	2.6846	2.5052	3.2258	3.2268	2.6485		1.0925	1.0934	2.4863	3.5460	1.3411
H9	2.6037	3.5700	2.2704	3.5050	4.1668	4.1317	3.7373	1.0925		1.8628	2.7304	3.8759	2.1309
H10	3.9552	4.9667	3.6866	2.7567	3.5100	3.5454	2.4381	1.0934	1.8628		3.4906	4.4620	2.1238
C11	1.3711	2.0252	2.0651	2.5274	2.8399	2.7281	3.4774	2.4863	2.7304	3.4906		1.2218	1.5060
O12	2.2719	2.4666	3.1409	2.8285	3.0241	2.5831	3.8869	3.5460	3.8759	4.4620	1.2218		2.3825
C13	2.4456	3.3516	2.6221	1.4984	2.1553	2.1363	2.1588	1.3411	2.1309	2.1238	1.5060	2.3825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.270	C1	H11	H13	116.348
C2	C1	C3	116.804	C2	C1	H11	115.422
C3	C1	H11	119.389	C4	H13	H8	123.748
C4	H13	H11	114.539	O5	C4	N6	106.178
O5	C4	H7	108.747	O5	C4	H13	111.013
N6	C4	H7	109.585	N6	C4	H13	109.627
H7	C4	H13	111.539	H8	H13	H11	121.576
H9	H8	H10	116.906	H9	H8	H13	121.908
H10	H8	H13	121.147	H12	H11	H13	121.359

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B3PW91/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	-0.130
2	H	0.114
3	H	0.112
4	C	0.005
5	H	0.059
6	H	0.077
7	H	0.035
8	C	0.014
9	H	0.034
10	H	0.040
11	C	0.157
12	O	-0.267
13	C	-0.249

	x	y	z	Total
	0.193	2.807	1.509	3.193
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	163.568
(<r²>)^1/2	12.789

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)