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	hartrees
Energy at 0K	-285.808771
Energy at 298.15K
HF Energy	-284.907455
Nuclear repulsion energy	240.920247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3061	4.03
2	A'	3114	2959	46.96
3	A'	3101	2947	36.06
4	A'	3096	2942	5.86
5	A'	1738	1652	98.08
6	A'	1566	1488	2.72
7	A'	1541	1464	0.47
8	A'	1517	1442	11.62
9	A'	1449	1377	46.70
10	A'	1404	1334	10.16
11	A'	1358	1290	6.82
12	A'	1275	1212	111.35
13	A'	1103	1048	1.87
14	A'	1041	989	83.67
15	A'	1002	952	1.23
16	A'	972	923	27.92
17	A'	923	877	22.17
18	A'	759	721	5.93
19	A'	669	636	3.16
20	A'	351	334	5.56
21	A"	3179	3021	37.89
22	A"	3176	3018	8.92
23	A"	3148	2992	3.95
24	A"	1511	1436	11.76
25	A"	1272	1209	0.06
26	A"	1243	1181	2.00
27	A"	1140	1083	0.01
28	A"	1078	1025	1.96
29	A"	844	802	0.27
30	A"	588	558	3.77
31	A"	238	226	11.09
32	A"	141	134	1.22
33	A"	76i	72i	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.341	2.121	0.000
C2	0.542	-1.497	0.000
C3	-0.990	-1.285	0.000
N4	-1.175	0.173	0.000
O5	1.085	-0.159	0.000
C6	0.000	0.673	0.000
H7	0.911	-2.009	0.891
H8	0.911	-2.009	-0.891
H9	-1.473	-1.711	0.884
H10	-1.473	-1.711	-0.884
H11	0.939	2.364	0.882
H12	0.939	2.364	-0.882
H13	-0.575	2.708	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6238	3.6569	2.4686	2.3984	1.4880	4.2629	4.2629	4.3306	4.3306	1.0924	1.0924	1.0882
C2	3.6238		1.5472	2.3951	1.4440	2.2366	1.0917	1.0917	2.2107	2.2107	3.9806	3.9806	4.3512
C3	3.6569	1.5472		1.4691	2.3611	2.1937	2.2211	2.2211	1.0933	1.0933	4.2206	4.2206	4.0145
N4	2.4686	2.3951	1.4691		2.2841	1.2765	3.1468	3.1468	2.1017	2.1017	3.1695	3.1695	2.6054
O5	2.3984	1.4440	2.3611	2.2841		1.3674	2.0603	2.0603	3.1196	3.1196	2.6771	2.6771	3.3132
C6	1.4880	2.2366	2.1937	1.2765	1.3674		2.9688	2.9688	2.9378	2.9378	2.1260	2.1260	2.1150
H7	4.2629	1.0917	2.2211	3.1468	2.0603	2.9688		1.7825	2.4025	2.9871	4.3729	4.7187	5.0249
H8	4.2629	1.0917	2.2211	3.1468	2.0603	2.9688	1.7825		2.9871	2.4025	4.7187	4.3729	5.0249
H9	4.3306	2.2107	1.0933	2.1017	3.1196	2.9378	2.4025	2.9871		1.7676	4.7350	5.0534	4.5949
H10	4.3306	2.2107	1.0933	2.1017	3.1196	2.9378	2.9871	2.4025	1.7676		5.0534	4.7350	4.5949
H11	1.0924	3.9806	4.2206	3.1695	2.6771	2.1260	4.3729	4.7187	4.7350	5.0534		1.7635	1.7849
H12	1.0924	3.9806	4.2206	3.1695	2.6771	2.1260	4.7187	4.3729	5.0534	4.7350	1.7635		1.7849
H13	1.0882	4.3512	4.0145	2.6054	3.3132	2.1150	5.0249	5.0249	4.5949	4.5949	1.7849	1.7849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	126.323	C1	C6	O5	114.205
C2	C3	N4	105.096	C2	C3	H9	112.564
C2	C3	H10	112.564	C2	O5	C6	105.384
C3	C2	O5	104.197	C3	C2	H7	113.511
C3	C2	H8	113.511	C3	N4	C6	105.851
N4	C3	H9	109.334	N4	C3	H10	109.334
N4	C6	O5	119.471	O5	C2	H7	107.880
O5	C2	H8	107.880	C6	C1	H11	110.012
C6	C1	H12	110.012	C6	C1	H13	109.388
H7	C2	H8	109.447	H9	C3	H10	107.875
H11	C1	H12	107.643	H11	C1	H13	109.884
H12	C1	H13	109.884

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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