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	hartrees
Energy at 0K	-285.759578
Energy at 298.15K	-285.768526
HF Energy	-284.868330
Nuclear repulsion energy	240.124621

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3237	3083	2.86
2	A	3193	3041	5.65
3	A	3180	3029	35.70
4	A	3154	3004	10.99
5	A	3103	2956	47.00
6	A	3102	2955	5.36
7	A	3095	2948	39.72
8	A	1740	1657	91.93
9	A	1523	1451	2.59
10	A	1494	1423	0.11
11	A	1477	1407	7.13
12	A	1475	1405	8.40
13	A	1426	1358	60.72
14	A	1379	1314	6.27
15	A	1336	1273	13.96
16	A	1264	1204	71.45
17	A	1248	1188	12.72
18	A	1219	1161	2.83
19	A	1121	1068	0.09
20	A	1087	1036	2.27
21	A	1059	1009	3.33
22	A	1040	991	76.64
23	A	993	946	5.77
24	A	964	919	23.66
25	A	920	876	20.79
26	A	848	808	3.74
27	A	734	699	3.90
28	A	669	637	3.27
29	A	585	558	3.50
30	A	345	328	4.79
31	A	239	228	9.32
32	A	150	143	1.23
33	A	74	70	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	-2.156	0.009	0.009
C2	1.390	-0.778	0.061
C3	1.433	0.765	-0.045
N4	0.022	1.193	0.039
O5	-0.016	-1.098	-0.065
C6	-0.666	0.108	0.001
H7	1.937	-1.299	-0.739
H8	1.740	-1.146	1.040
H9	1.856	1.109	-1.005
H10	2.021	1.227	0.764
H11	-2.501	-0.509	-0.900
H12	-2.490	-0.584	0.876
H13	-2.590	1.016	0.053

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6326	3.6686	2.4794	2.4103	1.4932	4.3617	4.1924	4.2826	4.4160	1.1017	1.1016	1.0974
C2	3.6326		1.5468	2.3986	1.4479	2.2394	1.1003	1.1032	2.2170	2.2164	4.0168	3.9693	4.3654
C3	3.6686	1.5468		1.4770	2.3606	2.2005	2.2345	2.2191	1.1041	1.1017	4.2225	4.2495	4.0323
N4	2.4794	2.3986	1.4770		2.2934	1.2855	3.2371	3.0698	2.1121	2.1263	3.1846	3.1884	2.6181
O5	2.4103	1.4479	2.3606	2.2934		1.3713	2.0760	2.0759	3.0435	3.2009	2.6864	2.6963	3.3326
C6	1.4932	2.2394	2.2005	1.2855	1.3713		3.0500	2.9054	2.8947	3.0093	2.1349	2.1376	2.1280
H7	4.3617	1.1003	2.2345	3.2371	2.0760	3.0500		1.7962	2.4242	2.9404	4.5107	4.7664	5.1458
H8	4.1924	1.1032	2.2191	3.0698	2.0759	2.9054	1.7962		3.0471	2.4062	4.7070	4.2703	4.9393
H9	4.2826	2.2170	1.1041	2.1121	3.0435	2.8947	2.4242	3.0471		1.7804	4.6491	5.0294	4.5715
H10	4.4160	2.2164	1.1017	2.1263	3.2009	3.0093	2.9404	2.4062	1.7804		5.1213	4.8619	4.6700
H11	1.1017	4.0168	4.2225	3.1846	2.6864	2.1349	4.5107	4.7070	4.6491	5.1213		1.7780	1.8002
H12	1.1016	3.9693	4.2495	3.1884	2.6963	2.1376	4.7664	4.2703	5.0294	4.8619	1.7780		1.8014
H13	1.0974	4.3654	4.0323	2.6181	3.3326	2.1280	5.1458	4.9393	4.5715	4.6700	1.8002	1.8014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	126.156	C1	C6	O5	114.517
C2	C3	N4	104.960	C2	C3	H9	112.440
C2	C3	H10	112.539	C2	O5	C6	105.160
C3	C2	O5	103.998	C3	C2	H7	114.102
C3	C2	H8	112.661	C3	N4	C6	105.395
N4	C3	H9	108.978	N4	C3	H10	110.245
N4	C6	O5	119.325	O5	C2	H7	108.350
O5	C2	H8	108.168	C6	C1	H11	109.794
C6	C1	H12	110.019	C6	C1	H13	109.508
H7	C2	H8	109.212	H9	C3	H10	107.637
H11	C1	H12	107.601	H11	C1	H13	109.887
H12	C1	H13	110.008

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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