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	hartrees
Energy at 0K	-52.200292
Energy at 298.15K	-52.209969
Nuclear repulsion energy	129.025909

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3237	3073	8.66
2	A	3201	3039	11.70
3	A	3200	3038	53.85
4	A	3172	3011	5.19
5	A	3121	2963	63.97
6	A	3108	2951	46.98
7	A	3108	2951	7.31
8	A	1724	1637	108.04
9	A	1555	1477	1.98
10	A	1530	1452	0.26
11	A	1505	1429	9.34
12	A	1503	1427	11.03
13	A	1449	1376	39.77
14	A	1389	1319	14.41
15	A	1352	1284	14.68
16	A	1264	1200	2.54
17	A	1261	1197	104.64
18	A	1223	1161	1.49
19	A	1124	1067	0.07
20	A	1098	1042	1.76
21	A	1078	1023	2.27
22	A	1034	981	77.91
23	A	992	942	11.30
24	A	966	917	30.36
25	A	907	861	25.24
26	A	839	796	0.14
27	A	743	706	5.96
28	A	658	624	3.81
29	A	575	546	3.58
30	A	342	324	5.95
31	A	239	227	13.57
32	A	139	132	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	2.179	0.008	0.010
C2	-1.402	-0.786	0.070
C3	-1.450	0.767	-0.052
N4	-0.030	1.205	0.044
O5	0.020	-1.106	-0.074
C6	0.671	0.115	0.002
H7	-1.726	-1.147	1.061
H8	-1.948	-1.318	-0.724
H9	-2.040	1.233	0.754
H10	-1.856	1.098	-1.024
H11	2.505	-0.584	0.882
H12	2.516	-0.510	-0.904
H13	2.613	1.018	0.054

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6687	3.7074	2.5119	2.4312	1.5113	4.2058	4.3967	4.4557	4.3057	1.1033	1.1034	1.0999
C2	3.6687		1.5580	2.4179	1.4645	2.2618	1.1036	1.1009	2.2248	2.2254	3.9959	4.0468	4.4021
C3	3.7074	1.5580		1.4890	2.3801	2.2196	2.2306	2.2468	1.1025	1.1047	4.2821	4.2522	4.0720
N4	2.5119	2.4179	1.4890		2.3138	1.2965	3.0725	3.2612	2.1325	2.1184	3.2136	3.2121	2.6495
O5	2.4312	1.4645	2.3801	2.3138		1.3856	2.0827	2.0833	3.2244	3.0463	2.7132	2.6974	3.3546
C6	1.5113	2.2618	2.2196	1.2965	1.3856		2.9088	3.0728	3.0280	2.8998	2.1506	2.1478	2.1423
H7	4.2058	1.1036	2.2306	3.0725	2.0827	2.9088		1.8075	2.4194	3.0666	4.2723	4.7183	4.9529
H8	4.3967	1.1009	2.2468	3.2612	2.0833	3.0728	1.8075		2.9501	2.4371	4.7903	4.5401	5.1835
H9	4.4557	2.2248	1.1025	2.1325	3.2244	3.0280	2.4194	2.9501		1.7925	4.8968	5.1521	4.7108
H10	4.3057	2.2254	1.1047	2.1184	3.0463	2.8998	3.0666	2.4371	1.7925		5.0482	4.6601	4.5982
H11	1.1033	3.9959	4.2821	3.2136	2.7132	2.1506	4.2723	4.7903	4.8968	5.0482		1.7869	1.8069
H12	1.1034	4.0468	4.2522	3.2121	2.6974	2.1478	4.7183	4.5401	5.1521	4.6601	1.7869		1.8057
H13	1.0999	4.4021	4.0720	2.6495	3.3546	2.1423	4.9529	5.1835	4.7108	4.5982	1.8069	1.8057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	126.752	C1	C6	O5	114.049
C2	C3	N4	105.014	C2	C3	H9	112.363
C2	C3	H10	112.280	C2	O5	C6	105.008
C3	C2	O5	103.860	C3	C2	H7	112.756
C3	C2	H8	114.252	C3	N4	C6	105.449
N4	C3	H9	109.847	N4	C3	H10	108.618
N4	C6	O5	119.195	O5	C2	H7	107.551
O5	C2	H8	107.756	C6	C1	H11	109.699
C6	C1	H12	109.465	C6	C1	H13	109.241
H7	C2	H8	110.146	H9	C3	H10	108.609
H11	C1	H12	108.148	H11	C1	H13	110.195
H12	C1	H13	110.077

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

using model chemistry: MP2/CEP-31G*

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: MP2/CEP-31G*

States and conformations

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