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	hartrees
Energy at 0K	-284.978929
Energy at 298.15K	-284.987200
HF Energy	-284.978929
Nuclear repulsion energy	230.639917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3959	3589	48.99
2	A	3825	3467	52.59
3	A	3373	3057	10.75
4	A	3295	2986	6.44
5	A	3256	2951	15.55
6	A	3231	2929	21.47
7	A	3174	2877	23.07
8	A	1929	1748	418.57
9	A	1836	1664	70.83
10	A	1767	1602	116.70
11	A	1612	1461	18.21
12	A	1593	1444	7.76
13	A	1568	1421	10.70
14	A	1542	1398	9.21
15	A	1495	1355	107.16
16	A	1332	1207	67.81
17	A	1199	1087	7.51
18	A	1170	1061	0.62
19	A	1111	1007	9.54
20	A	1087	986	40.43
21	A	1018	923	3.57
22	A	910	825	24.24
23	A	799	724	5.31
24	A	749	679	11.87
25	A	626	568	15.68
26	A	595	540	13.28
27	A	549	498	4.93
28	A	406	368	13.18
29	A	363	329	190.45
30	A	353	320	5.63
31	A	283	257	16.66
32	A	193	175	0.21
33	A	70	63	4.40

Atom	x (Å)	y (Å)	z (Å)
N1	-1.684	0.709	0.263
H2	-2.609	0.363	0.356
H3	-1.433	1.474	0.835
C4	1.680	-0.886	0.270
H5	1.509	-1.318	1.250
H6	1.562	-1.683	-0.450
H7	2.694	-0.515	0.229
C8	1.044	1.450	-0.274
H9	0.326	2.206	-0.524
H10	2.076	1.740	-0.280
C11	-0.744	-0.211	-0.056
O12	-1.049	-1.327	-0.353
C13	0.695	0.211	-0.012

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		0.9914	0.9876	3.7239	3.9090	4.0953	4.5467	2.8775	2.6271	3.9370	1.3541	2.2200	2.4461
H2	0.9914		1.6868	4.4682	4.5364	4.7152	5.3767	3.8625	3.5755	4.9244	1.9944	2.4068	3.3272
H3	0.9876	1.6868		3.9477	4.0771	4.5378	4.6216	2.7139	2.3405	3.6920	2.0272	3.0666	2.6155
C4	3.7239	4.4682	3.9477		1.0839	1.0808	1.0807	2.4825	3.4682	2.7130	2.5375	2.8337	1.5016
H5	3.9090	4.5364	4.0771	1.0839		1.7393	1.7585	3.1942	4.1188	3.4667	2.8293	3.0183	2.1427
H6	4.0953	4.7152	4.5378	1.0808	1.7393		1.7632	3.1814	4.0819	3.4664	2.7639	2.6366	2.1288
H7	4.5467	5.3767	4.6216	1.0807	1.7585	1.7632		2.6154	3.6850	2.3933	3.4633	3.8740	2.1409
C8	2.8775	3.8625	2.7139	2.4825	3.1942	3.1814	2.6154		1.0716	1.0724	2.4503	3.4780	1.3145
H9	2.6271	3.5755	2.3405	3.4682	4.1188	4.0819	3.6850	1.0716		1.8272	2.6846	3.7946	2.0929
H10	3.9370	4.9244	3.6920	2.7130	3.4667	3.4664	2.3933	1.0724	1.8272		3.4368	4.3790	2.0788
C11	1.3541	1.9944	2.0272	2.5375	2.8293	2.7639	3.4633	2.4503	2.6846	3.4368		1.1939	1.4996
O12	2.2200	2.4068	3.0666	2.8337	3.0183	2.6366	3.8740	3.4780	3.7946	4.3790	1.1939		2.3491
C13	2.4461	3.3272	2.6155	1.5016	2.1427	2.1288	2.1409	1.3145	2.0929	2.0788	1.4996	2.3491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	121.091	C1	H11	H13	117.907
C2	C1	C3	116.932	C2	C1	H11	115.628
C3	C1	H11	119.092	C4	H13	H8	123.521
C4	H13	H11	115.448	O5	C4	N6	106.931
O5	C4	H7	108.663	O5	C4	H13	110.907
N6	C4	H7	109.317	N6	C4	H13	109.973
H7	C4	H13	110.949	H8	H13	H11	120.942
H9	H8	H10	116.910	H9	H8	H13	122.264
H10	H8	H13	120.791	H12	H11	H13	121.000

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: HF/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	-0.407
2	H	0.202
3	H	0.192
4	C	-0.139
5	H	0.064
6	H	0.095
7	H	0.063
8	C	-0.131
9	H	0.073
10	H	0.069
11	C	0.477
12	O	-0.482
13	C	-0.075

	x	y	z	Total
	0.541	3.251	1.564	3.648
CHELPG
AIM
ESP

	x	y	z
x	8.463	0.479	-0.161
y	0.479	9.997	-0.205
z	-0.161	-0.205	5.952

<r²>	162.109
(<r²>)^1/2	12.732

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)