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	hartrees
Energy at 0K	-286.514330
Energy at 298.15K	-286.522207
Nuclear repulsion energy	228.630431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3762	3606	37.26
2	A	3622	3472	34.51
3	A	3253	3118	10.57
4	A	3166	3035	5.81
5	A	3162	3031	11.19
6	A	3130	2999	11.35
7	A	3058	2931	15.11
8	A	1802	1727	259.75
9	A	1719	1648	29.81
10	A	1617	1550	121.50
11	A	1499	1437	19.73
12	A	1477	1415	9.59
13	A	1450	1390	16.35
14	A	1420	1360	15.58
15	A	1391	1333	66.95
16	A	1243	1191	45.77
17	A	1098	1052	1.20
18	A	1069	1025	1.03
19	A	1020	977	5.70
20	A	962	922	6.47
21	A	947	908	35.37
22	A	824	790	17.18
23	A	753	722	4.70
24	A	683	654	12.83
25	A	579	555	19.39
26	A	569	545	5.28
27	A	507	486	4.14
28	A	380	364	76.26
29	A	358	343	131.16
30	A	321	307	4.23
31	A	262	251	14.48
32	A	163	156	0.31
33	A	76	73	3.79

Atom	x (Å)	y (Å)	z (Å)
N1	-1.667	0.747	0.264
H2	-2.628	0.446	0.320
H3	-1.397	1.565	0.785
C4	1.666	-0.908	0.266
H5	1.521	-1.322	1.271
H6	1.486	-1.728	-0.435
H7	2.700	-0.569	0.174
C8	1.066	1.462	-0.277
H9	0.344	2.231	-0.535
H10	2.113	1.752	-0.291
C11	-0.746	-0.218	-0.041
O12	-1.071	-1.356	-0.351
C13	0.698	0.204	-0.004

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0083	1.0062	3.7210	3.9310	4.0690	4.5618	2.8761	2.6245	3.9505	1.3678	2.2703	2.4409
H2	1.0083		1.7267	4.5020	4.6081	4.7136	5.4253	3.8769	3.5710	4.9551	2.0271	2.4734	3.3498
H3	1.0062	1.7267		3.9707	4.1330	4.5438	4.6599	2.6844	2.2852	3.6764	2.0695	3.1503	2.6196
C4	3.7210	4.5020	3.9707		1.0961	1.0938	1.0923	2.5040	3.4991	2.7539	2.5277	2.8409	1.4992
H5	3.9310	4.6081	4.1330	1.0961		1.7537	1.7781	3.2168	4.1555	3.4977	2.8423	3.0573	2.1519
H6	4.0690	4.7136	4.5438	1.0938	1.7537		1.7855	3.2215	4.1221	3.5390	2.7242	2.5854	2.1314
H7	4.5618	5.4253	4.6599	1.0923	1.7781	1.7855		2.6450	3.7272	2.4382	3.4708	3.8877	2.1537
C8	2.8761	3.8769	2.6844	2.5040	3.2168	3.2215	2.6450		1.0862	1.0867	2.4820	3.5369	1.3382
H9	2.6245	3.5710	2.2852	3.4991	4.1555	4.1221	3.7272	1.0862		1.8489	2.7260	3.8604	2.1249
H10	3.9505	4.9551	3.6764	2.7539	3.4977	3.5390	2.4382	1.0867	1.8489		3.4810	4.4495	2.1165
C11	1.3678	2.0271	2.0695	2.5277	2.8423	2.7242	3.4708	2.4820	2.7260	3.4810		1.2233	1.5050
O12	2.2703	2.4734	3.1503	2.8409	3.0573	2.5854	3.8877	3.5369	3.8604	4.4495	1.2233		2.3839
C13	2.4409	3.3498	2.6196	1.4992	2.1519	2.1314	2.1537	1.3382	2.1249	2.1165	1.5050	2.3839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.271	C1	H11	H13	116.265
C2	C1	C3	117.987	C2	C1	H11	116.287
C3	C1	H11	120.551	C4	H13	H8	123.796
C4	H13	H11	114.578	O5	C4	N6	106.411
O5	C4	H7	108.679	O5	C4	H13	111.073
N6	C4	H7	109.518	N6	C4	H13	109.573
H7	C4	H13	111.449	H8	H13	H11	121.498
H9	H8	H10	116.619	H9	H8	H13	122.101
H10	H8	H13	121.230	H12	H11	H13	121.452

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B3PW91/6-31G**

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	-0.653
2	H	0.297
3	H	0.287
4	C	-0.425
5	H	0.148
6	H	0.175
7	H	0.128
8	C	-0.325
9	H	0.128
10	H	0.132
11	C	0.551
12	O	-0.504
13	C	0.061

	x	y	z	Total
	0.259	2.939	1.545	3.331
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>	163.146
(<r²>)^1/2	12.773

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)