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	hartrees
Energy at 0K	-286.738710
Energy at 298.15K	-286.746563
HF Energy	-286.738710
Nuclear repulsion energy	228.908100

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3723	3584	36.15
2	A	3593	3458	35.14
3	A	3223	3103	9.48
4	A	3143	3025	6.26
5	A	3122	3005	12.35
6	A	3090	2975	10.18
7	A	3037	2923	14.98
8	A	1745	1679	286.10
9	A	1692	1629	58.50
10	A	1613	1553	98.58
11	A	1495	1439	18.57
12	A	1473	1417	9.09
13	A	1449	1395	9.72
14	A	1415	1362	3.75
15	A	1377	1326	90.54
16	A	1236	1190	53.30
17	A	1093	1052	2.84
18	A	1074	1034	0.26
19	A	1026	988	6.22
20	A	962	926	32.78
21	A	954	918	8.58
22	A	826	795	12.13
23	A	745	717	4.54
24	A	682	656	7.19
25	A	579	557	11.33
26	A	567	545	5.39
27	A	509	490	3.67
28	A	381	366	5.63
29	A	325	313	16.85
30	A	319	307	149.07
31	A	265	255	21.30
32	A	170	164	0.22
33	A	66	63	4.65

Atom	x (Å)	y (Å)	z (Å)
N1	-1.677	0.743	0.259
H2	-2.627	0.420	0.348
H3	-1.410	1.537	0.814
C4	1.670	-0.904	0.269
H5	1.496	-1.340	1.255
H6	1.532	-1.708	-0.454
H7	2.698	-0.547	0.221
C8	1.069	1.455	-0.275
H9	0.355	2.225	-0.532
H10	2.114	1.737	-0.284
C11	-0.746	-0.211	-0.052
O12	-1.071	-1.349	-0.349
C13	0.698	0.204	-0.008

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0074	1.0044	3.7311	3.9247	4.1013	4.5616	2.8872	2.6366	3.9569	1.3697	2.2612	2.4504
H2	1.0074		1.7161	4.4977	4.5743	4.7409	5.4137	3.8890	3.5952	4.9613	2.0246	2.4565	3.3513
H3	1.0044	1.7161		3.9685	4.1135	4.5608	4.6449	2.7098	2.3243	3.6971	2.0614	3.1296	2.6266
C4	3.7311	4.4977	3.9685		1.0921	1.0900	1.0888	2.4951	3.4879	2.7351	2.5339	2.8455	1.5002
H5	3.9247	4.5743	4.1135	1.0921		1.7487	1.7725	3.2153	4.1481	3.4957	2.8301	3.0277	2.1488
H6	4.1013	4.7409	4.5608	1.0900	1.7487		1.7780	3.2023	4.1066	3.4985	2.7554	2.6308	2.1335
H7	4.5616	5.4137	4.6449	1.0888	1.7725	1.7780		2.6285	3.7071	2.4114	3.4707	3.8955	2.1485
C8	2.8872	3.8890	2.7098	2.4951	3.2153	3.2023	2.6285		1.0811	1.0822	2.4743	3.5286	1.3322
H9	2.6366	3.5952	2.3243	3.4879	4.1481	4.1066	3.7071	1.0811		1.8423	2.7163	3.8523	2.1158
H10	3.9569	4.9613	3.6971	2.7351	3.4957	3.4985	2.4114	1.0822	1.8423		3.4684	4.4357	2.1052
C11	1.3697	2.0246	2.0614	2.5339	2.8301	2.7554	3.4707	2.4743	2.7163	3.4684		1.2197	1.5031
O12	2.2612	2.4565	3.1296	2.8455	3.0277	2.6308	3.8955	3.5286	3.8523	4.4357	1.2197		2.3788
C13	2.4504	3.3513	2.6266	1.5002	2.1488	2.1335	2.1485	1.3322	2.1158	2.1052	1.5031	2.3788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	121.574	C1	H11	H13	116.996
C2	C1	C3	117.081	C2	C1	H11	115.958
C3	C1	H11	119.721	C4	H13	H8	123.396
C4	H13	H11	115.070	O5	C4	N6	106.527
O5	C4	H7	108.730	O5	C4	H13	110.997
N6	C4	H7	109.389	N6	C4	H13	109.903
H7	C4	H13	111.171	H8	H13	H11	121.425
H9	H8	H10	116.774	H9	H8	H13	122.160
H10	H8	H13	121.019	H12	H11	H13	121.429

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B3LYP/Def2TZVPP

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	-0.265
2	H	0.171
3	H	0.161
4	C	-0.218
5	H	0.090
6	H	0.117
7	H	0.076
8	C	-0.222
9	H	0.098
10	H	0.099
11	C	0.272
12	O	-0.347
13	C	-0.033

	x	y	z	Total
	0.363	3.098	1.421	3.427
CHELPG
AIM
ESP

	x	y	z
x	9.615	0.350	-0.198
y	0.350	10.658	-0.144
z	-0.198	-0.144	6.234

<r²>	163.823
(<r²>)^1/2	12.799

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B3LYP/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)