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	hartrees
Energy at 0K	-286.545726
Energy at 298.15K	-286.553554
Nuclear repulsion energy	228.366668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3739	3606	36.81
2	A	3599	3471	33.56
3	A	3245	3130	9.28
4	A	3153	3041	5.89
5	A	3150	3038	11.56
6	A	3117	3007	9.06
7	A	3046	2938	14.62
8	A	1757	1695	287.31
9	A	1701	1641	70.59
10	A	1603	1547	112.07
11	A	1467	1415	24.21
12	A	1441	1390	12.52
13	A	1428	1378	14.12
14	A	1403	1353	28.13
15	A	1373	1324	46.61
16	A	1232	1188	45.12
17	A	1086	1048	1.20
18	A	1052	1015	0.45
19	A	1009	974	7.33
20	A	956	922	5.90
21	A	947	914	33.94
22	A	817	788	11.05
23	A	752	726	3.75
24	A	672	648	7.08
25	A	576	555	13.10
26	A	564	545	5.68
27	A	504	486	3.68
28	A	375	362	7.18
29	A	323	311	26.35
30	A	311	300	131.64
31	A	257	248	23.52
32	A	170	164	0.31
33	A	68	66	4.49

Atom	x (Å)	y (Å)	z (Å)
N1	-1.668	0.742	0.282
H2	-2.634	0.454	0.324
H3	-1.396	1.579	0.773
C4	1.667	-0.908	0.277
H5	1.481	-1.350	1.267
H6	1.531	-1.716	-0.455
H7	2.702	-0.548	0.236
C8	1.069	1.458	-0.287
H9	0.348	2.232	-0.551
H10	2.122	1.744	-0.303
C11	-0.747	-0.215	-0.041
O12	-1.076	-1.350	-0.366
C13	0.698	0.201	-0.004

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0096	1.0075	3.7206	3.9063	4.1010	4.5560	2.8860	2.6410	3.9637	1.3673	2.2684	2.4439
H2	1.0096		1.7324	4.5119	4.5908	4.7608	5.4298	3.8860	3.5805	4.9684	2.0357	2.4815	3.3582
H3	1.0075	1.7324		3.9764	4.1348	4.5750	4.6475	2.6863	2.2845	3.6829	2.0745	3.1584	2.6244
C4	3.7206	4.5119	3.9764		1.0999	1.0984	1.0964	2.5048	3.5049	2.7527	2.5311	2.8510	1.4991
H5	3.9063	4.5908	4.1348	1.0999		1.7607	1.7874	3.2355	4.1732	3.5282	2.8213	3.0332	2.1523
H6	4.1010	4.7608	4.5750	1.0984	1.7607		1.7925	3.2121	4.1226	3.5134	2.7589	2.6336	2.1383
H7	4.5560	5.4298	4.6475	1.0964	1.7874	1.7925		2.6385	3.7265	2.4246	3.4754	3.9079	2.1522
C8	2.8860	3.8860	2.6863	2.5048	3.2355	3.2121	2.6385		1.0905	1.0910	2.4819	3.5341	1.3410
H9	2.6410	3.5805	2.2845	3.5049	4.1732	4.1226	3.7265	1.0905		1.8571	2.7288	3.8582	2.1322
H10	3.9637	4.9684	3.6829	2.7527	3.5282	3.5134	2.4246	1.0910	1.8571		3.4841	4.4496	2.1209
C11	1.3673	2.0357	2.0745	2.5311	2.8213	2.7589	3.4754	2.4819	2.7288	3.4841		1.2247	1.5042
O12	2.2684	2.4815	3.1584	2.8510	3.0332	2.6336	3.9079	3.5341	3.8582	4.4496	1.2247		2.3835
C13	2.4439	3.3582	2.6244	1.4991	2.1523	2.1383	2.1522	1.3410	2.1322	2.1209	1.5042	2.3835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.031	C1	H11	H13	116.577
C2	C1	C3	118.377	C2	C1	H11	117.050
C3	C1	H11	120.998	C4	H13	H8	123.660
C4	H13	H11	114.867	O5	C4	N6	106.446
O5	C4	H7	108.947	O5	C4	H13	110.883
N6	C4	H7	109.509	N6	C4	H13	109.854
H7	C4	H13	111.083	H8	H13	H11	121.346
H9	H8	H10	116.700	H9	H8	H13	122.203
H10	H8	H13	121.051	H12	H11	H13	121.382

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B3PW91/aug-cc-pVDZ

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	-0.008
2	H	-0.045
3	H	-0.061
4	C	0.215
5	H	0.016
6	H	0.005
7	H	-0.219
8	C	0.929
9	H	-0.572
10	H	-0.555
11	C	0.499
12	O	-0.635
13	C	0.432

	x	y	z	Total
	0.445	3.098	1.443	3.446
CHELPG
AIM
ESP

	x	y	z
x	10.179	0.334	-0.194
y	0.334	11.177	-0.103
z	-0.194	-0.103	6.864

<r²>	164.136
(<r²>)^1/2	12.812

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)