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	hartrees
Energy at 0K	-286.572428
Energy at 298.15K	-286.581176
Nuclear repulsion energy	238.440824

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3075	3063	7.84
2	A	2976	2964	55.34
3	A	2970	2958	12.92
4	A	2959	2947	47.72
5	A	1658	1652	120.23
6	A	1486	1480	1.49
7	A	1465	1459	0.32
8	A	1445	1439	12.19
9	A	1374	1368	20.12
10	A	1324	1319	13.60
11	A	1287	1282	8.79
12	A	1191	1186	97.00
13	A	1037	1033	0.80
14	A	927	923	4.75
15	A	921	917	75.44
16	A	900	897	32.84
17	A	859	855	25.86
18	A	727	724	5.45
19	A	637	634	1.51
20	A	338	337	5.51
21	A	3019	3008	51.45
22	A	3016	3004	12.15
23	A	2980	2969	9.52
24	A	1441	1435	9.16
25	A	1208	1204	0.12
26	A	1171	1167	1.63
27	A	1084	1080	0.00
28	A	1034	1030	2.27
29	A	806	803	0.15
30	A	573	571	3.89
31	A	228	227	10.02
32	A	128	128	1.00
33	A	79	78	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.343	2.147	0.000
C2	0.543	-1.526	0.000
C3	-1.003	-1.298	0.000
N4	-1.177	0.179	0.000
O5	1.097	-0.163	0.000
C6	0.000	0.686	0.000
H7	0.916	-2.041	0.896
H8	0.916	-2.041	-0.896
H9	-1.493	-1.726	0.887
H10	-1.493	-1.726	-0.887
H11	0.945	2.397	0.886
H12	0.945	2.397	-0.886
H13	-0.577	2.739	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6785	3.6986	2.4862	2.4294	1.5001	4.3202	4.3202	4.3771	4.3771	1.0998	1.0998	1.0943
C2	3.6785		1.5627	2.4218	1.4720	2.2784	1.0982	1.0982	2.2298	2.2298	4.0420	4.0420	4.4102
C3	3.6986	1.5627		1.4874	2.3875	2.2237	2.2442	2.2442	1.1002	1.1002	4.2699	4.2699	4.0600
N4	2.4862	2.4218	1.4874		2.2993	1.2813	3.1793	3.1793	2.1255	2.1255	3.1943	3.1943	2.6296
O5	2.4294	1.4720	2.3875	2.2993		1.3874	2.0885	2.0885	3.1529	3.1529	2.7128	2.7128	3.3503
C6	1.5001	2.2784	2.2237	1.2813	1.3874		3.0130	3.0130	2.9728	2.9728	2.1455	2.1455	2.1324
H7	4.3202	1.0982	2.2442	3.1793	2.0885	3.0130		1.7916	2.4293	3.0134	4.4375	4.7818	5.0871
H8	4.3202	1.0982	2.2442	3.1793	2.0885	3.0130	1.7916		3.0134	2.4293	4.7818	4.4375	5.0871
H9	4.3771	2.2298	1.1002	2.1255	3.1529	2.9728	2.4293	3.0134		1.7746	4.7899	5.1076	4.6442
H10	4.3771	2.2298	1.1002	2.1255	3.1529	2.9728	3.0134	2.4293	1.7746		5.1076	4.7899	4.6442
H11	1.0998	4.0420	4.2699	3.1943	2.7128	2.1455	4.4375	4.7818	4.7899	5.1076		1.7719	1.7938
H12	1.0998	4.0420	4.2699	3.1943	2.7128	2.1455	4.7818	4.4375	5.1076	4.7899	1.7719		1.7938
H13	1.0943	4.4102	4.0600	2.6296	3.3503	2.1324	5.0871	5.0871	4.6442	4.6442	1.7938	1.7938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	126.550	C1	C6	O5	114.512
C2	C3	N4	105.096	C2	C3	H9	112.557
C2	C3	H10	112.557	C2	O5	C6	105.616
C3	C2	O5	103.724	C3	C2	H7	113.856
C3	C2	H8	113.856	C3	N4	C6	106.626
N4	C3	H9	109.546	N4	C3	H10	109.546
N4	C6	O5	118.938	O5	C2	H7	107.811
O5	C2	H8	107.811	C6	C1	H11	110.276
C6	C1	H12	110.276	C6	C1	H13	109.566
H7	C2	H8	109.310	H9	C3	H10	107.499
H11	C1	H12	107.328	H11	C1	H13	109.682
H12	C1	H13	109.682

All results from a given calculation for C₄H₇NO (Oxazole, 4,5-dihydro-2-methyl-)

using model chemistry: BLYP/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.243
2	C	-0.038
3	C	-0.141
4	N	-0.294
5	O	-0.317
6	C	0.193
7	H	0.116
8	H	0.116
9	H	0.116
10	H	0.116
11	H	0.123
12	H	0.123
13	H	0.129

	x	y	z	Total
	0.873	-0.936	0.000	1.280
CHELPG
AIM
ESP

<r²>	151.484
(<r²>)^1/2	12.308

All results from a given calculation for C4H7NO (Oxazole, 4,5-dihydro-2-methyl-)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for C₄H₇NO (Oxazole, 4,5-dihydro-2-methyl-)