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	hartrees
Energy at 0K	-284.920644
Energy at 298.15K	-284.928970
Nuclear repulsion energy	230.303720

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3971	3591	33.41
2	A	3844	3477	39.39
3	A	3388	3065	16.47
4	A	3309	2993	10.57
5	A	3276	2963	19.97
6	A	3251	2940	31.25
7	A	3193	2888	29.77
8	A	1956	1769	426.30
9	A	1848	1671	51.85
10	A	1810	1637	110.80
11	A	1629	1473	17.28
12	A	1611	1457	8.25
13	A	1577	1427	10.92
14	A	1555	1406	11.39
15	A	1502	1358	110.19
16	A	1340	1212	65.54
17	A	1215	1098	12.99
18	A	1174	1062	0.44
19	A	1116	1009	7.13
20	A	1081	978	43.65
21	A	1023	925	3.33
22	A	910	823	34.21
23	A	803	726	6.11
24	A	753	681	18.83
25	A	628	568	21.23
26	A	598	541	29.63
27	A	553	500	5.21
28	A	420	380	178.81
29	A	398	360	56.83
30	A	352	318	5.43
31	A	284	257	11.97
32	A	187	169	0.16
33	A	77	70	3.97

Atom	x (Å)	y (Å)	z (Å)
N1	-1.681	0.714	0.268
H2	-2.616	0.387	0.342
H3	-1.435	1.491	0.830
C4	1.682	-0.885	0.273
H5	1.500	-1.335	1.244
H6	1.584	-1.672	-0.463
H7	2.697	-0.508	0.254
C8	1.038	1.459	-0.281
H9	0.316	2.215	-0.532
H10	2.071	1.762	-0.298
C11	-0.747	-0.226	-0.046
O12	-1.044	-1.338	-0.361
C13	0.693	0.213	-0.007

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		0.9928	0.9900	3.7242	3.9080	4.1097	4.5450	2.8727	2.6235	3.9362	1.3617	2.2385	2.4419
H2	0.9928		1.6886	4.4827	4.5519	4.7462	5.3878	3.8587	3.5638	4.9255	2.0046	2.4371	3.3316
H3	0.9900	1.6886		3.9585	4.0953	4.5595	4.6251	2.7112	2.3334	3.6921	2.0461	3.0938	2.6189
C4	3.7242	4.4827	3.9585		1.0852	1.0824	1.0827	2.4935	3.4820	2.7359	2.5373	2.8353	1.5047
H5	3.9080	4.5519	4.0953	1.0852		1.7422	1.7597	3.2167	4.1423	3.5065	2.8189	3.0082	2.1482
H6	4.1097	4.7462	4.5595	1.0824	1.7422		1.7633	3.1836	4.0890	3.4722	2.7749	2.6512	2.1349
H7	4.5450	5.3878	4.6251	1.0827	1.7597	1.7633		2.6274	3.7006	2.4180	3.4681	3.8807	2.1453
C8	2.8727	3.8587	2.7112	2.4935	3.2167	3.1836	2.6274		1.0749	1.0758	2.4657	3.4876	1.3213
H9	2.6235	3.5638	2.3334	3.4820	4.1423	4.0890	3.7006	1.0749		1.8268	2.7056	3.8077	2.1031
H10	3.9362	4.9255	3.6921	2.7359	3.5065	3.4722	2.4180	1.0758	1.8268		3.4569	4.3944	2.0928
C11	1.3617	2.0046	2.0461	2.5373	2.8189	2.7749	3.4681	2.4657	2.7056	3.4569		1.1934	1.5058
O12	2.2385	2.4371	3.0938	2.8353	3.0082	2.6512	3.8807	3.4876	3.8077	4.3944	1.1934		2.3555
C13	2.4419	3.3316	2.6189	1.5047	2.1482	2.1349	2.1453	1.3213	2.1031	2.0928	1.5058	2.3555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.209	C1	H11	H13	116.678
C2	C1	C3	116.781	C2	C1	H11	115.845
C3	C1	H11	120.104	C4	H13	H8	123.726
C4	H13	H11	114.876	O5	C4	N6	106.986
O5	C4	H7	108.526	O5	C4	H13	111.047
N6	C4	H7	109.059	N6	C4	H13	110.151
H7	C4	H13	110.962	H8	H13	H11	121.277
H9	H8	H10	116.288	H9	H8	H13	122.387
H10	H8	H13	121.291	H12	H11	H13	121.102

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: HF/6-311G*

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	CHELPG	ESP
1	N	-0.898	-1.024	-1.029
2	H	0.377	0.433	0.438
3	H	0.374	0.391	0.401
4	C	-0.634	-0.142	-0.305
5	H	0.223	0.041	0.084
6	H	0.248	0.068	0.112
7	H	0.213	0.062	0.107
8	C	-0.444	-0.474	-0.578
9	H	0.232	0.186	0.222
10	H	0.232	0.199	0.235
11	C	0.638	0.878	0.835
12	O	-0.470	-0.630	-0.609
13	C	-0.091	0.012	0.086

	x	y	z	Total
	0.502	3.170	1.713	3.638
CHELPG
AIM
ESP	0.564	3.145	1.723	3.630

	x	y	z
x	7.616	0.535	-0.159
y	0.535	9.345	-0.268
z	-0.159	-0.268	4.822

<r²>	162.436
(<r²>)^1/2	12.745

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)