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	hartrees
Energy at 0K	-285.753898
Energy at 298.15K	-285.762875
HF Energy	-284.859242
Nuclear repulsion energy	240.717798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3274	3066	3.88
2	A	3233	3027	6.35
3	A	3223	3019	35.51
4	A	3198	2994	9.93
5	A	3148	2948	41.52
6	A	3145	2946	6.36
7	A	3140	2941	34.04
8	A	1755	1644	90.64
9	A	1582	1482	0.47
10	A	1557	1458	0.14
11	A	1539	1442	7.94
12	A	1535	1437	7.56
13	A	1465	1372	33.59
14	A	1411	1321	13.83
15	A	1371	1284	15.72
16	A	1285	1203	72.49
17	A	1277	1196	29.44
18	A	1240	1161	2.38
19	A	1145	1072	0.12
20	A	1108	1037	1.15
21	A	1090	1021	2.43
22	A	1043	977	78.63
23	A	1003	940	2.25
24	A	977	915	27.97
25	A	923	864	20.31
26	A	869	813	3.98
27	A	738	691	4.55
28	A	670	627	3.53
29	A	587	550	5.79
30	A	351	328	5.40
31	A	241	226	10.04
32	A	147	138	1.11
33	A	78	73	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	2.153	0.006	0.010
C2	-1.392	-0.774	0.063
C3	-1.430	0.763	-0.047
N4	-0.022	1.188	0.041
O5	0.016	-1.096	-0.067
C6	0.669	0.111	0.001
H7	-1.733	-1.136	1.034
H8	-1.933	-1.291	-0.726
H9	-2.011	1.223	0.751
H10	-1.843	1.100	-0.999
H11	2.480	-0.577	0.868
H12	2.492	-0.504	-0.890
H13	2.583	1.002	0.053

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6298	3.6619	2.4754	2.4061	1.4875	4.1779	4.3492	4.4007	4.2639	1.0887	1.0888	1.0851
C2	3.6298		1.5406	2.3927	1.4499	2.2433	1.0904	1.0878	2.2003	2.2008	3.9598	4.0083	4.3534
C3	3.6619	1.5406		1.4731	2.3549	2.1981	2.2057	2.2204	1.0893	1.0913	4.2334	4.2066	4.0213
N4	2.4754	2.3927	1.4731		2.2873	1.2806	3.0522	3.2223	2.1123	2.0987	3.1724	3.1703	2.6120
O5	2.4061	1.4499	2.3549	2.2873		1.3742	2.0667	2.0660	3.1867	3.0247	2.6868	2.6759	3.3178
C6	1.4875	2.2433	2.1981	1.2806	1.3742		2.8968	3.0432	2.9969	2.8791	2.1230	2.1203	2.1120
H7	4.1779	1.0904	2.2057	3.0522	2.0667	2.8968		1.7776	2.3919	3.0240	4.2537	4.6854	4.9156
H8	4.3492	1.0878	2.2204	3.2223	2.0660	3.0432	1.7776		2.9163	2.4081	4.7462	4.4971	5.1239
H9	4.4007	2.2003	1.0893	2.1123	3.1867	2.9969	2.3919	2.9163		1.7622	4.8401	5.0944	4.6523
H10	4.2639	2.2008	1.0913	2.0987	3.0247	2.8791	3.0240	2.4081	1.7622		4.9993	4.6238	4.5507
H11	1.0887	3.9598	4.2334	3.1724	2.6868	2.1230	4.2537	4.7462	4.8401	4.9993		1.7600	1.7800
H12	1.0888	4.0083	4.2066	3.1703	2.6759	2.1203	4.6854	4.4971	5.0944	4.6238	1.7600		1.7789
H13	1.0851	4.3534	4.0213	2.6120	3.3178	2.1120	4.9156	5.1239	4.6523	4.5507	1.7800	1.7789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	126.660	C1	C6	O5	114.387
C2	C3	N4	105.083	C2	C3	H9	112.441
C2	C3	H10	112.353	C2	O5	C6	105.156
C3	C2	O5	103.853	C3	C2	H7	112.811
C3	C2	H8	114.186	C3	N4	C6	105.708
N4	C3	H9	110.143	N4	C3	H10	108.940
N4	C6	O5	118.952	O5	C2	H7	108.057
O5	C2	H8	108.154	C6	C1	H11	110.024
C6	C1	H12	109.803	C6	C1	H13	109.368
H7	C2	H8	109.383	H9	C3	H10	107.831
H11	C1	H12	107.857	H11	C1	H13	109.943
H12	C1	H13	109.829

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

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

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: MP2/6-31G**

States and conformations

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