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	hartrees
Energy at 0K	-285.884102
Energy at 298.15K
HF Energy	-284.940946
Nuclear repulsion energy	241.085386

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3226	3058	3.74
2	A	3125	2962	46.52
3	A	3114	2952	32.23
4	A	3103	2941	7.64
5	A	1727	1637	104.31
6	A	1558	1477	1.98
7	A	1528	1448	0.13
8	A	1508	1430	9.84
9	A	1442	1367	35.53
10	A	1405	1332	8.29
11	A	1363	1292	8.38
12	A	1270	1204	116.12
13	A	1098	1041	1.56
14	A	1028	975	86.68
15	A	998	946	1.35
16	A	965	915	29.44
17	A	919	871	27.10
18	A	761	721	4.97
19	A	670	635	2.12
20	A	357	339	5.59
21	A	3190	3024	33.43
22	A	3184	3018	6.93
23	A	3161	2996	2.80
24	A	1495	1417	9.65
25	A	1249	1184	0.31
26	A	1238	1174	2.12
27	A	1142	1083	0.07
28	A	1074	1018	0.85
29	A	841	798	0.49
30	A	575	545	4.22
31	A	237	225	10.92
32	A	132	125	1.02
33	A	116i	109i	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.341	2.121	0.000
C2	0.544	-1.495	0.000
C3	-0.991	-1.284	0.000
N4	-1.170	0.172	0.000
O5	1.081	-0.159	0.000
C6	0.000	0.674	0.000
H7	0.905	-2.012	0.889
H8	0.905	-2.012	-0.889
H9	-1.468	-1.713	0.882
H10	-1.468	-1.713	-0.882
H11	0.935	2.362	0.882
H12	0.935	2.362	-0.882
H13	-0.574	2.704	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6219	3.6562	2.4659	2.3966	1.4869	4.2647	4.2647	4.3295	4.3295	1.0899	1.0899	1.0856
C2	3.6219		1.5498	2.3916	1.4404	2.2363	1.0894	1.0894	2.2075	2.2075	3.9760	3.9760	4.3461
C3	3.6562	1.5498		1.4672	2.3580	2.1942	2.2166	2.2166	1.0901	1.0901	4.2166	4.2166	4.0101
N4	2.4659	2.3916	1.4672		2.2754	1.2728	3.1408	3.1408	2.1021	2.1021	3.1628	3.1628	2.6012
O5	2.3966	1.4404	2.3580	2.2754		1.3645	2.0630	2.0630	3.1127	3.1127	2.6743	2.6743	3.3072
C6	1.4869	2.2363	2.1942	1.2728	1.3645		2.9700	2.9700	2.9369	2.9369	2.1218	2.1218	2.1103
H7	4.2647	1.0894	2.2166	3.1408	2.0630	2.9700		1.7778	2.3911	2.9753	4.3740	4.7187	5.0220
H8	4.2647	1.0894	2.2166	3.1408	2.0630	2.9700	1.7778		2.9753	2.3911	4.7187	4.3740	5.0220
H9	4.3295	2.2075	1.0901	2.1021	3.1127	2.9369	2.3911	2.9753		1.7635	4.7302	5.0482	4.5918
H10	4.3295	2.2075	1.0901	2.1021	3.1127	2.9369	2.9753	2.3911	1.7635		5.0482	4.7302	4.5918
H11	1.0899	3.9760	4.2166	3.1628	2.6743	2.1218	4.3740	4.7187	4.7302	5.0482		1.7631	1.7811
H12	1.0899	3.9760	4.2166	3.1628	2.6743	2.1218	4.7187	4.3740	5.0482	4.7302	1.7631		1.7811
H13	1.0856	4.3461	4.0101	2.6012	3.3072	2.1103	5.0220	5.0220	4.5918	4.5918	1.7811	1.7811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	126.467	C1	C6	O5	114.321
C2	C3	N4	104.844	C2	C3	H9	112.309
C2	C3	H10	112.309	C2	O5	C6	105.707
C3	C2	O5	104.043	C3	C2	H7	113.093
C3	C2	H8	113.093	C3	N4	C6	106.194
N4	C3	H9	109.686	N4	C3	H10	109.686
N4	C6	O5	119.212	O5	C2	H7	108.471
O5	C2	H8	108.471	C6	C1	H11	109.898
C6	C1	H12	109.898	C6	C1	H13	109.246
H7	C2	H8	109.365	H9	C3	H10	107.965
H11	C1	H12	107.957	H11	C1	H13	109.913
H12	C1	H13	109.913

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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