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	hartrees
Energy at 0K	-286.727351
Energy at 298.15K	-286.735248
Nuclear repulsion energy	228.927175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3717	3593	33.20
2	A	3587	3467	32.41
3	A	3218	3111	10.18
4	A	3140	3035	6.57
5	A	3119	3014	12.93
6	A	3086	2983	11.46
7	A	3034	2932	15.44
8	A	1751	1692	276.83
9	A	1693	1637	47.86
10	A	1612	1559	97.61
11	A	1495	1445	18.31
12	A	1473	1423	8.80
13	A	1448	1400	10.12
14	A	1414	1367	3.74
15	A	1376	1330	89.37
16	A	1236	1194	51.18
17	A	1094	1058	3.41
18	A	1074	1039	0.34
19	A	1026	991	5.86
20	A	962	930	32.39
21	A	952	920	7.62
22	A	826	799	12.41
23	A	744	719	5.02
24	A	682	660	7.84
25	A	578	559	12.96
26	A	565	546	5.69
27	A	509	492	3.35
28	A	381	368	8.64
29	A	337	326	161.95
30	A	326	315	4.76
31	A	267	258	15.87
32	A	169	163	0.20
33	A	68	66	4.55

Atom	x (Å)	y (Å)	z (Å)
N1	-1.673	0.739	0.270
H2	-2.632	0.442	0.321
H3	-1.407	1.569	0.766
C4	1.670	-0.902	0.269
H5	1.504	-1.333	1.259
H6	1.526	-1.711	-0.447
H7	2.697	-0.546	0.211
C8	1.065	1.456	-0.279
H9	0.349	2.226	-0.533
H10	2.109	1.742	-0.294
C11	-0.747	-0.218	-0.042
O12	-1.068	-1.351	-0.355
C13	0.697	0.206	-0.005

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0060	1.0034	3.7237	3.9188	4.0917	4.5551	2.8830	2.6350	3.9529	1.3669	2.2634	2.4443
H2	1.0060		1.7238	4.5079	4.5973	4.7447	5.4215	3.8810	3.5778	4.9548	2.0299	2.4736	3.3537
H3	1.0034	1.7238		3.9779	4.1398	4.5641	4.6505	2.6861	2.2805	3.6762	2.0694	3.1467	2.6231
C4	3.7237	4.5079	3.9779		1.0922	1.0900	1.0885	2.4957	3.4889	2.7390	2.5316	2.8443	1.4999
H5	3.9188	4.5973	4.1398	1.0922		1.7474	1.7726	3.2152	4.1483	3.4979	2.8287	3.0363	2.1486
H6	4.0917	4.7447	4.5641	1.0900	1.7474		1.7784	3.2050	4.1095	3.5054	2.7493	2.6201	2.1343
H7	4.5551	5.4215	4.6505	1.0885	1.7726	1.7784		2.6293	3.7081	2.4160	3.4693	3.8919	2.1478
C8	2.8830	3.8810	2.6861	2.4957	3.2152	3.2050	2.6293		1.0814	1.0823	2.4789	3.5270	1.3321
H9	2.6350	3.5778	2.2805	3.4889	4.1483	4.1095	3.7081	1.0814		1.8408	2.7230	3.8515	2.1165
H10	3.9529	4.9548	3.6762	2.7390	3.4979	3.5054	2.4160	1.0823	1.8408		3.4734	4.4347	2.1066
C11	1.3669	2.0299	2.0694	2.5316	2.8287	2.7493	3.4693	2.4789	2.7230	3.4734		1.2187	1.5056
O12	2.2634	2.4736	3.1467	2.8443	3.0363	2.6201	3.8919	3.5270	3.8515	4.4347	1.2187		2.3795
C13	2.4443	3.3537	2.6231	1.4999	2.1486	2.1343	2.1478	1.3321	2.1165	2.1066	1.5056	2.3795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.082	C1	H11	H13	116.543
C2	C1	C3	118.155	C2	C1	H11	116.804
C3	C1	H11	120.861	C4	H13	H8	123.479
C4	H13	H11	114.770	O5	C4	N6	106.400
O5	C4	H7	108.752	O5	C4	H13	110.993
N6	C4	H7	109.441	N6	C4	H13	109.978
H7	C4	H13	111.149	H8	H13	H11	121.631
H9	H8	H10	116.591	H9	H8	H13	122.210
H10	H8	H13	121.158	H12	H11	H13	121.364

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B3LYP/cc-pVTZ

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	ESP
1	N	-0.230	-0.841
2	H	0.156	0.387
3	H	0.160	0.344
4	C	-0.276	-0.293
5	H	0.099	0.082
6	H	0.121	0.108
7	H	0.089	0.099
8	C	-0.303	-0.506
9	H	0.108	0.186
10	H	0.114	0.195
11	C	0.233	0.650
12	O	-0.336	-0.534
13	C	0.061	0.123

	x	y	z	Total
	0.316	3.024	1.444	3.366
CHELPG
AIM
ESP	0.375	3.011	1.460	3.367

	x	y	z
x	9.459	0.323	-0.203
y	0.323	10.419	-0.186
z	-0.203	-0.186	5.785

<r²>	163.654
(<r²>)^1/2	12.793

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)