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	hartrees
Energy at 0K	-286.564113
Energy at 298.15K	-286.572036
Nuclear repulsion energy	229.480675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3779	3608	36.63
2	A	3642	3477	36.74
3	A	3260	3112	8.27
4	A	3173	3030	4.33
5	A	3170	3027	9.97
6	A	3137	2995	8.87
7	A	3066	2927	13.48
8	A	1814	1732	260.98
9	A	1725	1647	27.47
10	A	1618	1545	113.46
11	A	1492	1425	21.62
12	A	1470	1403	9.57
13	A	1450	1384	16.45
14	A	1416	1352	23.77
15	A	1390	1327	54.60
16	A	1245	1188	42.52
17	A	1105	1054	1.72
18	A	1072	1023	0.75
19	A	1018	972	5.76
20	A	967	923	17.00
21	A	959	915	19.08
22	A	838	800	14.66
23	A	757	723	4.95
24	A	687	656	10.00
25	A	581	555	17.97
26	A	568	542	5.03
27	A	506	483	4.20
28	A	382	365	91.74
29	A	362	346	87.54
30	A	328	313	4.07
31	A	264	252	13.18
32	A	166	158	0.25
33	A	75	71	3.94

Atom	x (Å)	y (Å)	z (Å)
N1	-1.667	0.742	0.248
H2	-2.621	0.433	0.322
H3	-1.398	1.557	0.767
C4	1.664	-0.902	0.255
H5	1.521	-1.324	1.255
H6	1.484	-1.717	-0.450
H7	2.695	-0.559	0.164
C8	1.056	1.463	-0.265
H9	0.332	2.231	-0.512
H10	2.100	1.758	-0.278
C11	-0.744	-0.222	-0.041
O12	-1.059	-1.356	-0.336
C13	0.694	0.208	-0.003

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0053	1.0029	3.7141	3.9292	4.0569	4.5523	2.8625	2.6060	3.9360	1.3647	2.2611	2.4337
H2	1.0053		1.7188	4.4883	4.5945	4.6977	5.4099	3.8625	3.5561	4.9389	2.0205	2.4649	3.3386
H3	1.0029	1.7188		3.9605	4.1300	4.5284	4.6472	2.6637	2.2550	3.6560	2.0599	3.1335	2.6065
C4	3.7141	4.4883	3.9605		1.0945	1.0923	1.0908	2.4967	3.4900	2.7474	2.5195	2.8229	1.4960
H5	3.9292	4.5945	4.1300	1.0945		1.7501	1.7762	3.2078	4.1439	3.4898	2.8324	3.0309	2.1473
H6	4.0569	4.6977	4.5284	1.0923	1.7501		1.7844	3.2137	4.1131	3.5326	2.7143	2.5709	2.1275
H7	4.5523	5.4099	4.6472	1.0908	1.7762	1.7844		2.6379	3.7181	2.4321	3.4616	3.8701	2.1490
C8	2.8625	3.8625	2.6637	2.4967	3.2078	3.2137	2.6379		1.0840	1.0847	2.4750	3.5248	1.3322
H9	2.6060	3.5561	2.2550	3.4900	4.1439	4.1131	3.7181	1.0840		1.8446	2.7195	3.8518	2.1178
H10	3.9360	4.9389	3.6560	2.7474	3.4898	3.5326	2.4321	1.0847	1.8446		3.4724	4.4356	2.1100
C11	1.3647	2.0205	2.0599	2.5195	2.8324	2.7143	3.4616	2.4750	2.7195	3.4724		1.2142	1.5013
O12	2.2611	2.4649	3.1335	2.8229	3.0309	2.5709	3.8701	3.5248	3.8518	4.4356	1.2142		2.3728
C13	2.4337	3.3386	2.6065	1.4960	2.1473	2.1275	2.1490	1.3322	2.1178	2.1100	1.5013	2.3728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.394	C1	H11	H13	116.155
C2	C1	C3	117.714	C2	C1	H11	116.154
C3	C1	H11	120.150	C4	H13	H8	123.856
C4	H13	H11	114.402	O5	C4	N6	106.322
O5	C4	H7	108.747	O5	C4	H13	111.027
N6	C4	H7	109.649	N6	C4	H13	109.572
H7	C4	H13	111.389	H8	H13	H11	121.616
H9	H8	H10	116.549	H9	H8	H13	122.116
H10	H8	H13	121.293	H12	H11	H13	121.438

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: mPW1PW91/6-31G(2df,p)

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	-0.588
2	H	0.283
3	H	0.281
4	C	-0.525
5	H	0.159
6	H	0.183
7	H	0.143
8	C	-0.444
9	H	0.143
10	H	0.147
11	C	0.406
12	O	-0.384
13	C	0.196

	x	y	z	Total
	0.252	2.867	1.452	3.224
CHELPG
AIM
ESP

	x	y	z
x	8.659	0.338	-0.170
y	0.338	9.587	-0.202
z	-0.170	-0.202	4.929

<r²>	162.103
(<r²>)^1/2	12.732

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)