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	hartrees
Energy at 0K	-285.698566
Energy at 298.15K
HF Energy	-284.847969
Nuclear repulsion energy	240.494802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3060	3.11
2	A'	3133	2955	39.43
3	A'	3123	2945	9.46
4	A'	3121	2943	26.57
5	A'	1756	1656	92.64
6	A'	1589	1498	0.77
7	A'	1563	1474	0.12
8	A'	1543	1455	9.59
9	A'	1469	1385	35.81
10	A'	1412	1331	17.69
11	A'	1371	1293	9.71
12	A'	1288	1214	107.21
13	A'	1113	1050	1.09
14	A'	1043	984	84.63
15	A'	1006	949	1.61
16	A'	977	921	26.40
17	A'	922	869	20.32
18	A'	758	715	6.23
19	A'	670	632	3.55
20	A'	352	332	5.83
21	A"	3205	3022	5.11
22	A"	3196	3014	36.39
23	A"	3168	2987	3.85
24	A"	1536	1449	9.37
25	A"	1281	1208	0.13
26	A"	1242	1171	1.27
27	A"	1149	1084	0.01
28	A"	1093	1031	2.75
29	A"	858	809	0.36
30	A"	587	554	5.70
31	A"	241	227	10.97
32	A"	145	137	1.11
33	A"	53i	50i	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.343	2.124	0.000
C2	0.541	-1.502	0.000
C3	-0.991	-1.285	0.000
N4	-1.176	0.173	0.000
O5	1.087	-0.160	0.000
C6	0.000	0.677	0.000
H7	0.909	-2.017	0.891
H8	0.909	-2.017	-0.891
H9	-1.474	-1.714	0.883
H10	-1.474	-1.714	-0.883
H11	0.940	2.368	0.883
H12	0.940	2.368	-0.883
H13	-0.575	2.711	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6319	3.6612	2.4731	2.4030	1.4873	4.2739	4.2739	4.3374	4.3374	1.0931	1.0931	1.0893
C2	3.6319		1.5475	2.3994	1.4486	2.2455	1.0929	1.0929	2.2106	2.2106	3.9894	3.9894	4.3580
C3	3.6612	1.5475		1.4701	2.3633	2.1984	2.2229	2.2229	1.0943	1.0943	4.2251	4.2251	4.0172
N4	2.4731	2.3994	1.4701		2.2884	1.2798	3.1531	3.1531	2.1046	2.1046	3.1740	3.1740	2.6076
O5	2.4030	1.4486	2.3633	2.2884		1.3727	2.0670	2.0670	3.1233	3.1233	2.6821	2.6821	3.3175
C6	1.4873	2.2455	2.1984	1.2798	1.3727		2.9799	2.9799	2.9444	2.9444	2.1263	2.1263	2.1130
H7	4.2739	1.0929	2.2229	3.1531	2.0670	2.9799		1.7816	2.4029	2.9869	4.3851	4.7303	5.0346
H8	4.2739	1.0929	2.2229	3.1531	2.0670	2.9799	1.7816		2.9869	2.4029	4.7303	4.3851	5.0346
H9	4.3374	2.2106	1.0943	2.1046	3.1233	2.9444	2.4029	2.9869		1.7668	4.7419	5.0602	4.6002
H10	4.3374	2.2106	1.0943	2.1046	3.1233	2.9444	2.9869	2.4029	1.7668		5.0602	4.7419	4.6002
H11	1.0931	3.9894	4.2251	3.1740	2.6821	2.1263	4.3851	4.7303	4.7419	5.0602		1.7661	1.7865
H12	1.0931	3.9894	4.2251	3.1740	2.6821	2.1263	4.7303	4.3851	5.0602	4.7419	1.7661		1.7865
H13	1.0893	4.3580	4.0172	2.6076	3.3175	2.1130	5.0346	5.0346	4.6002	4.6002	1.7865	1.7865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	126.531	C1	C6	O5	114.264
C2	C3	N4	105.306	C2	C3	H9	112.474
C2	C3	H10	112.474	C2	O5	C6	105.451
C3	C2	O5	104.093	C3	C2	H7	113.560
C3	C2	H8	113.560	C3	N4	C6	105.945
N4	C3	H9	109.438	N4	C3	H10	109.438
N4	C6	O5	119.205	O5	C2	H7	108.022
O5	C2	H8	108.022	C6	C1	H11	110.040
C6	C1	H12	110.040	C6	C1	H13	109.212
H7	C2	H8	109.195	H9	C3	H10	107.661
H11	C1	H12	107.762	H11	C1	H13	109.886
H12	C1	H13	109.886

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-)