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	hartrees
Energy at 0K	-285.829773
Energy at 298.15K
HF Energy	-284.867474
Nuclear repulsion energy	241.159547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3268	3044	5.16
2	A'	3166	2950	48.56
3	A'	3153	2937	33.80
4	A'	3147	2932	8.55
5	A'	1817	1693	140.49
6	A'	1591	1482	1.28
7	A'	1564	1457	0.05
8	A'	1539	1434	7.87
9	A'	1479	1377	42.67
10	A'	1427	1329	15.08
11	A'	1391	1296	13.11
12	A'	1303	1214	112.81
13	A'	1125	1048	3.73
14	A'	1076	1002	81.24
15	A'	1021	951	1.02
16	A'	982	915	28.51
17	A'	939	875	25.92
18	A'	776	723	5.52
19	A'	676	629	3.10
20	A'	356	332	6.38
21	A"	3225	3004	5.74
22	A"	3224	3003	39.27
23	A"	3194	2976	4.21
24	A"	1529	1424	8.65
25	A"	1281	1193	0.12
26	A"	1247	1162	3.62
27	A"	1154	1075	0.12
28	A"	1093	1018	1.16
29	A"	856	798	0.83
30	A"	597	556	5.52
31	A"	243	226	11.81
32	A"	140	130	0.73
33	A"	67i	63i	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.341	2.129	0.000
C2	0.546	-1.500	0.000
C3	-0.990	-1.288	0.000
N4	-1.166	0.171	0.000
O5	1.076	-0.162	0.000
C6	0.000	0.678	0.000
H7	0.909	-2.016	0.886
H8	0.909	-2.016	-0.886
H9	-1.469	-1.717	0.878
H10	-1.469	-1.717	-0.878
H11	0.934	2.369	0.880
H12	0.934	2.369	-0.880
H13	-0.573	2.712	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6343	3.6665	2.4707	2.4054	1.4899	4.2761	4.2761	4.3402	4.3402	1.0880	1.0880	1.0838
C2	3.6343		1.5504	2.3918	1.4398	2.2454	1.0876	1.0876	2.2086	2.2086	3.9864	3.9864	4.3578
C3	3.6665	1.5504		1.4690	2.3536	2.2013	2.2189	2.2189	1.0886	1.0886	4.2247	4.2247	4.0215
N4	2.4707	2.3918	1.4690		2.2670	1.2718	3.1423	3.1423	2.1041	2.1041	3.1649	3.1649	2.6097
O5	2.4054	1.4398	2.3536	2.2670		1.3652	2.0618	2.0618	3.1099	3.1099	2.6826	2.6826	3.3130
C6	1.4899	2.2454	2.2013	1.2718	1.3652		2.9782	2.9782	2.9441	2.9441	2.1224	2.1224	2.1129
H7	4.2761	1.0876	2.2189	3.1423	2.0618	2.9782		1.7711	2.3975	2.9763	4.3848	4.7268	5.0333
H8	4.2761	1.0876	2.2189	3.1423	2.0618	2.9782	1.7711		2.9763	2.3975	4.7268	4.3848	5.0333
H9	4.3402	2.2086	1.0886	2.1041	3.1099	2.9441	2.3975	2.9763		1.7562	4.7405	5.0559	4.6036
H10	4.3402	2.2086	1.0886	2.1041	3.1099	2.9441	2.9763	2.3975	1.7562		5.0559	4.7405	4.6036
H11	1.0880	3.9864	4.2247	3.1649	2.6826	2.1224	4.3848	4.7268	4.7405	5.0559		1.7595	1.7783
H12	1.0880	3.9864	4.2247	3.1649	2.6826	2.1224	4.7268	4.3848	5.0559	4.7405	1.7595		1.7783
H13	1.0838	4.3578	4.0215	2.6097	3.3130	2.1129	5.0333	5.0333	4.6036	4.6036	1.7783	1.7783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	126.740	C1	C6	O5	114.740
C2	C3	N4	104.740	C2	C3	H9	112.455
C2	C3	H10	112.455	C2	O5	C6	106.328
C3	C2	O5	103.768	C3	C2	H7	113.354
C3	C2	H8	113.354	C3	N4	C6	106.643
N4	C3	H9	109.813	N4	C3	H10	109.813
N4	C6	O5	118.521	O5	C2	H7	108.523
O5	C2	H8	108.523	C6	C1	H11	109.853
C6	C1	H12	109.853	C6	C1	H13	109.346
H7	C2	H8	109.015	H9	C3	H10	107.544
H11	C1	H12	107.910	H11	C1	H13	109.931
H12	C1	H13	109.931

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

using model chemistry: MP3=FULL/6-31+G**

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

using model chemistry: MP3=FULL/6-31+G**

States and conformations

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