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	hartrees
Energy at 0K	-286.424383
Energy at 298.15K	-286.432510
Nuclear repulsion energy	227.648458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3777	3617	32.46
2	A	3633	3479	34.05
3	A	3267	3128	16.11
4	A	3179	3044	6.12
5	A	3168	3034	12.87
6	A	3134	3002	12.39
7	A	3060	2931	15.82
8	A	1739	1665	77.73
9	A	1704	1632	230.18
10	A	1660	1590	73.06
11	A	1535	1470	22.42
12	A	1513	1449	12.29
13	A	1487	1424	17.40
14	A	1455	1393	10.61
15	A	1426	1366	97.30
16	A	1271	1218	48.72
17	A	1114	1066	1.09
18	A	1103	1057	3.60
19	A	1053	1008	6.02
20	A	985	944	44.02
21	A	975	934	11.68
22	A	832	797	45.00
23	A	759	727	3.21
24	A	695	666	80.04
25	A	617	591	92.83
26	A	578	554	8.58
27	A	543	520	129.51
28	A	512	491	23.23
29	A	382	366	1.54
30	A	333	319	4.53
31	A	270	259	11.50
32	A	157	150	0.29
33	A	75	72	8.02

Atom	x (Å)	y (Å)	z (Å)
N1	-1.667	0.749	0.289
H2	-2.643	0.504	0.239
H3	-1.405	1.646	0.660
C4	1.660	-0.919	0.263
H5	1.514	-1.332	1.269
H6	1.477	-1.740	-0.439
H7	2.697	-0.587	0.169
C8	1.084	1.461	-0.273
H9	0.380	2.246	-0.535
H10	2.133	1.739	-0.280
C11	-0.745	-0.205	-0.039
O12	-1.084	-1.370	-0.347
C13	0.698	0.203	-0.006

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0077	1.0053	3.7216	3.9252	4.0746	4.5649	2.8961	2.6660	3.9679	1.3666	2.2873	2.4450
H2	1.0077		1.7356	4.5322	4.6594	4.7398	5.4505	3.8816	3.5736	4.9607	2.0453	2.5071	3.3637
H3	1.0053	1.7356		4.0167	4.2144	4.5798	4.6961	2.6644	2.2301	3.6626	2.0861	3.1953	2.6366
C4	3.7216	4.5322	4.0167		1.0971	1.0949	1.0930	2.5074	3.5065	2.7543	2.5266	2.8463	1.5022
H5	3.9252	4.6594	4.2144	1.0971		1.7560	1.7790	3.2195	4.1645	3.4950	2.8427	3.0593	2.1558
H6	4.0746	4.7398	4.5798	1.0949	1.7560		1.7853	3.2294	4.1352	3.5436	2.7293	2.5886	2.1368
H7	4.5649	5.4505	4.6961	1.0930	1.7790	1.7853		2.6443	3.7269	2.4348	3.4690	3.8950	2.1561
C8	2.8961	3.8816	2.6644	2.5074	3.2195	3.2294	2.6443		1.0863	1.0858	2.4853	3.5661	1.3430
H9	2.6660	3.5736	2.2301	3.5065	4.1645	4.1352	3.7269	1.0863		1.8432	2.7425	3.9051	2.1345
H10	3.9679	4.9607	3.6626	2.7543	3.4950	3.5436	2.4348	1.0858	1.8432		3.4819	4.4740	2.1201
C11	1.3666	2.0453	2.0861	2.5266	2.8427	2.7293	3.4690	2.4853	2.7425	3.4819		1.2509	1.5001
O12	2.2873	2.5071	3.1953	2.8463	3.0593	2.5886	3.8950	3.5661	3.9051	4.4740	1.2509		2.4006
C13	2.4450	3.3637	2.6366	1.5022	2.1558	2.1368	2.1561	1.3430	2.1345	2.1201	1.5001	2.4006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	121.750	C1	H11	H13	116.984
C2	C1	C3	119.123	C2	C1	H11	118.172
C3	C1	H11	122.423	C4	H13	H8	123.494
C4	H13	H11	114.614	O5	C4	N6	106.470
O5	C4	H7	108.641	O5	C4	H13	111.112
N6	C4	H7	109.370	N6	C4	H13	109.727
H7	C4	H13	111.384	H8	H13	H11	121.794
H9	H8	H10	116.114	H9	H8	H13	122.605
H10	H8	H13	121.226	H12	H11	H13	121.266

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	-0.771
2	H	0.354
3	H	0.345
4	C	-0.526
5	H	0.183
6	H	0.212
7	H	0.161
8	C	-0.376
9	H	0.154
10	H	0.165
11	C	0.482
12	O	-0.471
13	C	0.090

	x	y	z	Total
	0.352	3.500	1.260	3.737
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>	164.485
(<r²>)^1/2	12.825

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)