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	hartrees
Energy at 0K	-286.618164
Energy at 298.15K	-286.626088
Nuclear repulsion energy	229.418619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3767	3604	37.66
2	A	3633	3476	36.44
3	A	3247	3106	10.08
4	A	3161	3024	7.03
5	A	3158	3022	10.98
6	A	3125	2990	11.38
7	A	3059	2927	14.78
8	A	1803	1725	299.09
9	A	1718	1644	37.87
10	A	1623	1553	120.77
11	A	1494	1429	22.79
12	A	1471	1408	11.72
13	A	1446	1384	18.66
14	A	1419	1358	20.66
15	A	1390	1330	66.67
16	A	1246	1192	45.90
17	A	1105	1057	1.72
18	A	1071	1025	0.54
19	A	1021	977	5.72
20	A	964	923	14.28
21	A	956	915	28.33
22	A	834	798	17.35
23	A	756	724	5.05
24	A	690	660	9.70
25	A	582	557	14.05
26	A	573	549	6.19
27	A	510	488	3.30
28	A	378	362	21.80
29	A	344	329	171.92
30	A	323	309	4.80
31	A	264	253	16.62
32	A	167	160	0.28
33	A	76	73	3.77

Atom	x (Å)	y (Å)	z (Å)
N1	-1.663	0.738	0.274
H2	-2.625	0.446	0.317
H3	-1.392	1.558	0.785
C4	1.664	-0.901	0.272
H5	1.516	-1.311	1.274
H6	1.488	-1.720	-0.428
H7	2.694	-0.557	0.181
C8	1.058	1.456	-0.283
H9	0.334	2.219	-0.544
H10	2.103	1.747	-0.301
C11	-0.746	-0.220	-0.042
O12	-1.063	-1.348	-0.360
C13	0.695	0.205	-0.002

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0057	1.0034	3.7083	3.9120	4.0577	4.5463	2.8694	2.6181	3.9410	1.3633	2.2611	2.4335
H2	1.0057		1.7247	4.4950	4.5988	4.7078	5.4141	3.8658	3.5554	4.9419	2.0257	2.4730	3.3440
H3	1.0034	1.7247		3.9553	4.1142	4.5289	4.6403	2.6748	2.2765	3.6644	2.0642	3.1405	2.6087
C4	3.7083	4.4950	3.9553		1.0936	1.0914	1.0899	2.4960	3.4882	2.7442	2.5230	2.8343	1.4951
H5	3.9120	4.5988	4.1142	1.0936		1.7507	1.7754	3.2085	4.1433	3.4898	2.8349	3.0532	2.1452
H6	4.0577	4.7078	4.5289	1.0914	1.7507		1.7823	3.2087	4.1068	3.5233	2.7184	2.5792	2.1253
H7	4.5463	5.4141	4.6403	1.0899	1.7754	1.7823		2.6353	3.7152	2.4271	3.4630	3.8772	2.1469
C8	2.8694	3.8658	2.6748	2.4960	3.2085	3.2087	2.6353		1.0837	1.0842	2.4740	3.5173	1.3327
H9	2.6181	3.5554	2.2765	3.4882	4.1433	4.1068	3.7152	1.0837		1.8465	2.7143	3.8359	2.1169
H10	3.9410	4.9419	3.6644	2.7442	3.4898	3.5233	2.4271	1.0842	1.8465		3.4708	4.4277	2.1088
C11	1.3633	2.0257	2.0642	2.5230	2.8349	2.7184	3.4630	2.4740	2.7143	3.4708		1.2146	1.5027
O12	2.2611	2.4730	3.1405	2.8343	3.0532	2.5792	3.8772	3.5173	3.8359	4.4277	1.2146		2.3734
C13	2.4335	3.3440	2.6087	1.4951	2.1452	2.1253	2.1469	1.3327	2.1169	2.1088	1.5027	2.3734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.485	C1	H11	H13	116.146
C2	C1	C3	118.286	C2	C1	H11	116.730
C3	C1	H11	120.672	C4	H13	H8	123.824
C4	H13	H11	114.621	O5	C4	N6	106.497
O5	C4	H7	108.806	O5	C4	H13	110.971
N6	C4	H7	109.588	N6	C4	H13	109.517
H7	C4	H13	111.337	H8	H13	H11	121.400
H9	H8	H10	116.800	H9	H8	H13	121.995
H10	H8	H13	121.157	H12	H11	H13	121.359

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	-0.479
2	H	0.237
3	H	0.235
4	C	-0.277
5	H	0.136
6	H	0.158
7	H	0.116
8	C	-0.166
9	H	0.119
10	H	0.122
11	C	0.406
12	O	-0.374
13	C	-0.232

	x	y	z	Total
	0.264	3.000	1.498	3.363
CHELPG
AIM
ESP

	x	y	z
x	8.651	0.345	-0.197
y	0.345	9.834	-0.220
z	-0.197	-0.220	5.120

<r²>	162.503
(<r²>)^1/2	12.748

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)