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	hartrees
Energy at 0K	-286.609790
Energy at 298.15K	-286.617703
Nuclear repulsion energy	228.076697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3703	3548	25.92
2	A	3581	3431	28.76
3	A	3243	3107	12.72
4	A	3166	3033	6.91
5	A	3143	3011	13.34
6	A	3113	2982	13.77
7	A	3053	2925	16.71
8	A	1787	1712	247.44
9	A	1715	1643	30.68
10	A	1642	1573	99.17
11	A	1522	1458	15.41
12	A	1501	1438	7.68
13	A	1468	1407	11.90
14	A	1437	1377	3.16
15	A	1392	1334	87.79
16	A	1246	1194	50.60
17	A	1109	1063	4.87
18	A	1085	1040	0.68
19	A	1033	990	5.11
20	A	962	922	7.05
21	A	951	911	33.01
22	A	824	789	17.72
23	A	750	719	5.78
24	A	680	651	15.88
25	A	578	554	25.77
26	A	563	539	11.06
27	A	511	489	6.89
28	A	405	388	180.70
29	A	374	358	22.85
30	A	326	312	4.23
31	A	267	256	11.04
32	A	165	158	0.21
33	A	74	71	3.98

Atom	x (Å)	y (Å)	z (Å)
N1	-1.682	0.748	0.234
H2	-2.636	0.424	0.320
H3	-1.425	1.558	0.779
C4	1.679	-0.905	0.249
H5	1.525	-1.348	1.240
H6	1.525	-1.709	-0.477
H7	2.710	-0.548	0.182
C8	1.061	1.472	-0.257
H9	0.339	2.246	-0.501
H10	2.108	1.768	-0.267
C11	-0.746	-0.222	-0.039
O12	-1.066	-1.370	-0.325
C13	0.698	0.209	-0.005

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0115	1.0094	3.7452	3.9618	4.1028	4.5798	2.8796	2.6212	3.9561	1.3756	2.2755	2.4520
H2	1.0115		1.7218	4.5151	4.6156	4.7436	5.4356	3.8865	3.5848	4.9652	2.0292	2.4693	3.3566
H3	1.0094	1.7218		3.9974	4.1673	4.5782	4.6790	2.6952	2.2861	3.6901	2.0736	3.1495	2.6350
C4	3.7452	4.5151	3.9974		1.0972	1.0947	1.0937	2.5074	3.5051	2.7554	2.5355	2.8418	1.5052
H5	3.9618	4.6156	4.1673	1.0972		1.7550	1.7794	3.2274	4.1670	3.5104	2.8401	3.0270	2.1588
H6	4.1028	4.7436	4.5782	1.0947	1.7550		1.7855	3.2230	4.1299	3.5320	2.7502	2.6175	2.1415
H7	4.5798	5.4356	4.6790	1.0937	1.7794	1.7855		2.6444	3.7277	2.4345	3.4789	3.8973	2.1580
C8	2.8796	3.8865	2.6952	2.5074	3.2274	3.2230	2.6444		1.0863	1.0871	2.4872	3.5504	1.3391
H9	2.6212	3.5848	2.2861	3.5051	4.1670	4.1299	3.7277	1.0863		1.8467	2.7359	3.8833	2.1278
H10	3.9561	4.9652	3.6901	2.7554	3.5104	3.5320	2.4345	1.0871	1.8467		3.4865	4.4627	2.1183
C11	1.3756	2.0292	2.0736	2.5355	2.8401	2.7502	3.4789	2.4872	2.7359	3.4865		1.2248	1.5073
O12	2.2755	2.4693	3.1495	2.8418	3.0270	2.6175	3.8973	3.5504	3.8833	4.4627	1.2248		2.3879
C13	2.4520	3.3566	2.6350	1.5052	2.1588	2.1415	2.1580	1.3391	2.1278	2.1183	1.5073	2.3879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	121.996	C1	H11	H13	116.470
C2	C1	C3	116.864	C2	C1	H11	115.595
C3	C1	H11	120.009	C4	H13	H8	123.563
C4	H13	H11	114.636	O5	C4	N6	106.390
O5	C4	H7	108.623	O5	C4	H13	111.142
N6	C4	H7	109.353	N6	C4	H13	109.909
H7	C4	H13	111.287	H8	H13	H11	121.701
H9	H8	H10	116.360	H9	H8	H13	122.297
H10	H8	H13	121.298	H12	H11	H13	121.515

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B3LYPultrafine/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	-0.747
2	H	0.339
3	H	0.332
4	C	-0.503
5	H	0.163
6	H	0.189
7	H	0.146
8	C	-0.392
9	H	0.148
10	H	0.149
11	C	0.534
12	O	-0.498
13	C	0.140

	x	y	z	Total
	0.289	2.894	1.558	3.299
CHELPG
AIM
ESP

	x	y	z
x	8.346	0.415	-0.174
y	0.415	9.454	-0.159
z	-0.174	-0.159	4.320

<r²>	164.200
(<r²>)^1/2	12.814

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)