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	hartrees
Energy at 0K	-286.602230
Energy at 298.15K	-286.610164
Nuclear repulsion energy	229.385131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3769	3598	26.63
2	A	3639	3473	28.39
3	A	3247	3099	13.47
4	A	3162	3018	9.61
5	A	3159	3015	14.01
6	A	3129	2986	14.31
7	A	3064	2924	17.79
8	A	1806	1724	303.59
9	A	1723	1645	37.70
10	A	1661	1585	111.85
11	A	1513	1444	21.96
12	A	1491	1423	12.06
13	A	1459	1393	17.25
14	A	1432	1366	14.42
15	A	1400	1337	80.24
16	A	1253	1196	46.93
17	A	1117	1066	2.33
18	A	1079	1030	0.50
19	A	1030	983	5.60
20	A	969	925	5.19
21	A	951	908	41.94
22	A	835	797	19.25
23	A	759	724	5.03
24	A	694	663	11.31
25	A	587	560	18.16
26	A	577	551	5.51
27	A	513	489	3.50
28	A	382	365	65.15
29	A	356	340	154.06
30	A	322	307	4.75
31	A	262	250	15.47
32	A	167	160	0.23
33	A	77	74	3.55

Atom	x (Å)	y (Å)	z (Å)
N1	-1.661	0.738	0.280
H2	-2.622	0.446	0.327
H3	-1.393	1.548	0.807
C4	1.663	-0.900	0.277
H5	1.506	-1.319	1.275
H6	1.504	-1.718	-0.428
H7	2.695	-0.556	0.203
C8	1.059	1.454	-0.289
H9	0.337	2.218	-0.557
H10	2.103	1.747	-0.307
C11	-0.745	-0.220	-0.043
O12	-1.066	-1.345	-0.368
C13	0.695	0.204	-0.002

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0053	1.0031	3.7060	3.9054	4.0682	4.5447	2.8696	2.6240	3.9413	1.3639	2.2611	2.4326
H2	1.0053		1.7193	4.4919	4.5886	4.7199	5.4119	3.8657	3.5608	4.9420	2.0255	2.4725	3.3424
H3	1.0031	1.7193		3.9516	4.1044	4.5370	4.6371	2.6869	2.3027	3.6747	2.0657	3.1398	2.6118
C4	3.7060	4.4919	3.9516		1.0935	1.0912	1.0901	2.4956	3.4893	2.7466	2.5229	2.8389	1.4949
H5	3.9054	4.5886	4.1044	1.0935		1.7491	1.7734	3.2149	4.1512	3.5018	2.8308	3.0516	2.1471
H6	4.0682	4.7199	4.5370	1.0912	1.7491		1.7788	3.2057	4.1066	3.5181	2.7298	2.5974	2.1282
H7	4.5447	5.4119	4.6371	1.0901	1.7734	1.7788		2.6379	3.7187	2.4321	3.4650	3.8843	2.1490
C8	2.8696	3.8657	2.6869	2.4956	3.2149	3.2057	2.6379		1.0843	1.0849	2.4729	3.5148	1.3326
H9	2.6240	3.5608	2.3027	3.4893	4.1512	4.1066	3.7187	1.0843		1.8444	2.7160	3.8336	2.1189
H10	3.9413	4.9420	3.6747	2.7466	3.5018	3.5181	2.4321	1.0849	1.8444		3.4714	4.4278	2.1108
C11	1.3639	2.0255	2.0657	2.5229	2.8308	2.7298	3.4650	2.4729	2.7160	3.4714		1.2144	1.5020
O12	2.2611	2.4725	3.1398	2.8389	3.0516	2.5974	3.8843	3.5148	3.8336	4.4278	1.2144		2.3737
C13	2.4326	3.3424	2.6118	1.4949	2.1471	2.1282	2.1490	1.3326	2.1189	2.1108	1.5020	2.3737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.456	C1	H11	H13	116.081
C2	C1	C3	117.747	C2	C1	H11	116.699
C3	C1	H11	120.791	C4	H13	H8	123.812
C4	H13	H11	114.669	O5	C4	N6	106.377
O5	C4	H7	108.615	O5	C4	H13	111.145
N6	C4	H7	109.273	N6	C4	H13	109.771
H7	C4	H13	111.511	H8	H13	H11	121.360
H9	H8	H10	116.483	H9	H8	H13	122.156
H10	H8	H13	121.306	H12	H11	H13	121.451

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: mPW1PW91/6-311G*

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	-0.814
2	H	0.362
3	H	0.363
4	C	-0.695
5	H	0.238
6	H	0.260
7	H	0.224
8	C	-0.445
9	H	0.222
10	H	0.224
11	C	0.496
12	O	-0.374
13	C	-0.060

	x	y	z	Total
	0.254	3.007	1.575	3.404
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>	162.575
(<r²>)^1/2	12.750

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: mPW1PW91/6-311G*

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)