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	hartrees
Energy at 0K	-286.297578
Energy at 298.15K	-286.305536
HF Energy	-286.014927
Nuclear repulsion energy	228.243887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3731	3541	30.28
2	A	3604	3421	35.51
3	A	3279	3112	10.87
4	A	3196	3033	5.95
5	A	3180	3018	11.55
6	A	3154	2994	13.58
7	A	3087	2930	15.26
8	A	1784	1694	223.83
9	A	1716	1629	37.87
10	A	1654	1570	94.82
11	A	1542	1464	14.29
12	A	1522	1445	7.67
13	A	1483	1408	14.41
14	A	1456	1382	4.17
15	A	1412	1341	81.88
16	A	1259	1195	49.89
17	A	1118	1061	4.81
18	A	1097	1041	0.31
19	A	1044	991	5.03
20	A	972	923	3.31
21	A	951	902	38.11
22	A	825	783	17.40
23	A	758	720	5.51
24	A	687	652	18.27
25	A	582	553	34.82
26	A	566	538	11.33
27	A	514	488	10.19
28	A	420	399	195.81
29	A	376	357	8.71
30	A	322	306	4.39
31	A	267	254	9.86
32	A	168	159	0.18
33	A	76	72	3.86

Atom	x (Å)	y (Å)	z (Å)
N1	-1.718	0.733	-0.062
H2	-2.610	0.242	-0.040
H3	-1.682	1.353	0.748
C4	1.741	-0.827	0.032
H5	2.356	-0.704	0.925
H6	1.317	-1.830	0.043
H7	2.388	-0.736	-0.843
C8	0.981	1.506	-0.037
H9	0.235	2.246	-0.084
H10	1.990	1.806	-0.027
C11	-0.703	-0.226	-0.019
O12	-1.007	-1.424	-0.012
C13	0.662	0.194	-0.008

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0186	1.0199	3.7961	4.4319	3.9742	4.4300	2.8080	2.4709	3.8607	1.3967	2.2716	2.4413
H2	1.0186		1.6476	4.4819	5.1476	4.4417	5.1558	3.8076	3.4807	4.8593	1.9638	2.3124	3.2734
H3	1.0199	1.6476		4.1214	4.5360	4.4301	4.8433	2.7813	2.2733	3.7809	2.0094	2.9568	2.7222
C4	3.7961	4.4819	4.1214		1.0916	1.0895	1.0913	2.4542	3.4244	2.6452	2.5181	2.8133	1.4862
H5	4.4319	5.1476	4.5360	1.0916		1.7682	1.7688	2.7752	3.7718	2.7097	3.2378	3.5654	2.1326
H6	3.9742	4.4417	4.4301	1.0895	1.7682		1.7685	3.3537	4.2196	3.6987	2.5809	2.3604	2.1285
H7	4.4300	5.1558	4.8433	1.0913	1.7688	1.7685		2.7661	3.7554	2.6992	3.2393	3.5622	2.1307
C8	2.8080	3.8076	2.7813	2.4542	2.7752	3.3537	2.7661		1.0525	1.0528	2.4159	3.5410	1.3497
H9	2.4709	3.4807	2.2733	3.4244	3.7718	4.2196	3.7554	1.0525		1.8106	2.6450	3.8755	2.0973
H10	3.8607	4.8593	3.7809	2.6452	2.7097	3.6987	2.6992	1.0528	1.8106		3.3741	4.4068	2.0883
C11	1.3967	1.9638	2.0094	2.5181	3.2378	2.5809	3.2393	2.4159	2.6450	3.3741		1.2362	1.4291
O12	2.2716	2.3124	2.9568	2.8133	3.5654	2.3604	3.5622	3.5410	3.8755	4.4068	1.2362		2.3254
C13	2.4413	3.2734	2.7222	1.4862	2.1326	2.1285	2.1307	1.3497	2.0973	2.0883	1.4291	2.3254

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	119.138	C1	H11	H13	119.521
C2	C1	C3	107.843	C2	C1	H11	107.762
C3	C1	H11	111.563	C4	H13	H8	119.772
C4	H13	H11	119.473	O5	C4	N6	108.327
O5	C4	H7	108.249	O5	C4	H13	110.711
N6	C4	H7	108.381	N6	C4	H13	110.515
H7	C4	H13	110.574	H8	H13	H11	120.754
H9	H8	H10	118.636	H9	H8	H13	121.131
H10	H8	H13	120.228	H12	H11	H13	121.332

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B2PLYP/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	-0.817
2	H	0.363
3	H	0.354
4	C	-0.504
5	H	0.170
6	H	0.199
7	H	0.156
8	C	-0.403
9	H	0.170
10	H	0.169
11	C	0.619
12	O	-0.546
13	C	0.071

	x	y	z
x	8.167	0.415	-0.170
y	0.415	9.312	-0.135
z	-0.170	-0.135	4.314

<r²>	163.977
(<r²>)^1/2	12.805

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)