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	hartrees
Energy at 0K	-285.724349
Energy at 298.15K	-285.733314
HF Energy	-284.848121
Nuclear repulsion energy	240.852979

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3246	3058	3.01
2	A	3205	3020	4.87
3	A	3200	3015	32.52
4	A	3173	2989	8.98
5	A	3128	2948	36.42
6	A	3124	2943	6.97
7	A	3120	2939	29.72
8	A	1759	1657	92.32
9	A	1586	1495	0.86
10	A	1563	1472	0.12
11	A	1543	1454	9.62
12	A	1537	1448	9.43
13	A	1470	1385	35.92
14	A	1414	1332	15.16
15	A	1374	1295	11.73
16	A	1290	1215	87.75
17	A	1280	1206	20.15
18	A	1245	1173	1.99
19	A	1151	1085	0.11
20	A	1112	1048	1.23
21	A	1095	1032	3.13
22	A	1045	985	79.87
23	A	1006	948	2.09
24	A	980	923	27.55
25	A	924	871	20.12
26	A	871	821	3.47
27	A	741	698	4.75
28	A	671	633	3.51
29	A	592	558	5.61
30	A	352	332	5.84
31	A	243	229	10.80
32	A	147	138	1.17
33	A	74	70	0.14

Atom	x (Å)	y (Å)	z (Å)
H1	-1.738	-1.144	1.030
H2	-1.928	-1.292	-0.737
C3	-1.392	-0.774	0.060
H4	-2.008	1.224	0.761
H5	-1.848	1.107	-0.996
C6	-1.430	0.763	-0.045
N7	-0.023	1.187	0.038
O8	0.016	-1.095	-0.064
C9	0.669	0.111	0.001
H10	2.483	-0.579	0.870
H11	2.583	1.006	0.053
H12	2.494	-0.504	-0.894
C13	2.151	0.007	0.009

	H1	H2	C3	H4	H5	C6	N7	O8	C9	H10	H11	H12	C13
H1		1.7828	1.0938	2.3985	3.0304	2.2101	3.0588	2.0676	2.9024	4.2609	4.9238	4.6920	4.1823
H2	1.7828		1.0915	2.9285	2.4138	2.2241	3.2208	2.0669	3.0421	4.7480	5.1237	4.4942	4.3458
C3	1.0938	1.0915		2.2049	2.2052	1.5406	2.3913	1.4494	2.2430	3.9625	4.3548	4.0098	3.6284
H4	2.3985	2.9285	2.2049		1.7678	1.0932	2.1126	3.1866	2.9965	4.8400	4.6497	5.0977	4.3981
H5	3.0304	2.4138	2.2052	1.7678		1.0949	2.1000	3.0324	2.8849	5.0083	4.5549	4.6327	4.2684
C6	2.2101	2.2241	1.5406	1.0932	1.0949		1.4722	2.3545	2.1981	4.2362	4.0213	4.2098	3.6606
N7	3.0588	3.2208	2.3913	2.1126	2.1000	1.4722		2.2844	1.2794	3.1758	2.6117	3.1719	2.4736
O8	2.0676	2.0669	1.4494	3.1866	3.0324	2.3545	2.2844		1.3727	2.6871	3.3191	2.6787	2.4039
C9	2.9024	3.0421	2.2430	2.9965	2.8849	2.1981	1.2794	1.3727		2.1263	2.1138	2.1237	1.4864
H10	4.2609	4.7480	3.9625	4.8400	5.0083	4.2362	3.1758	2.6871	2.1263		1.7863	1.7654	1.0927
H11	4.9238	5.1237	4.3548	4.6497	4.5549	4.0213	2.6117	3.3191	2.1138	1.7863		1.7851	1.0892
H12	4.6920	4.4942	4.0098	5.0977	4.6327	4.2098	3.1719	2.6787	2.1237	1.7654	1.7851		1.0929
C13	4.1823	4.3458	3.6284	4.3981	4.2684	3.6606	2.4736	2.4039	1.4864	1.0927	1.0892	1.0929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	86.124	C1	C6	O5	129.831
C2	C3	N4	121.618	C2	C3	H9	128.266
C2	C3	H10	130.782	C2	O5	C6	66.844
C3	C2	O5	65.858	C3	C2	H7	33.743
C3	C2	H8	41.814	C3	N4	C6	40.182
N4	C3	H9	84.702	N4	C3	H10	99.428
N4	C6	O5	107.784	O5	C2	H7	40.689
O5	C2	H8	84.807	C6	C1	H11	53.462
C6	C1	H12	63.737	C6	C1	H13	60.952
H7	C2	H8	44.925	H9	C3	H10	24.216
H11	C1	H12	21.220	H11	C1	H13	10.085
H12	C1	H13	12.529

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

using model chemistry: MP2=FULL/6-31G*

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=FULL/6-31G*

States and conformations

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