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	hartrees
Energy at 0K	-243.747771
Energy at 298.15K	-243.752299
HF Energy	-243.243700
Nuclear repulsion energy	158.876660

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3362	3198	0.09
2	A'	3346	3183	0.14
3	A'	3330	3168	0.57
4	A'	1497	1424	2.85
5	A'	1436	1366	5.12
6	A'	1312	1248	23.04
7	A'	1288	1225	3.44
8	A'	1168	1111	11.53
9	A'	1042	991	23.10
10	A'	1027	977	6.28
11	A'	987	939	21.36
12	A'	886	843	7.12
13	A'	875	832	34.15
14	A"	865	823	0.01
15	A"	838	797	40.72
16	A"	775	737	37.21
17	A"	657	625	19.03
18	A"	617	587	14.20

Atom	x (Å)	y (Å)
O1	-1.122	0.312
C2	0.000	1.152
N3	1.136	0.477
C4	0.768	-0.906
C5	-0.602	-1.003
H6	-0.167	2.213
H7	1.501	-1.693
H8	-1.306	-1.813

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.4015	2.2642	2.2494	1.4144	2.1276	3.3020	2.1335
C2	1.4015		1.3213	2.1964	2.2367	1.0746	3.2163	3.2398
N3	2.2642	1.3213		1.4305	2.2818	2.1709	2.2000	3.3476
C4	2.2494	2.1964	1.4305		1.3734	3.2563	1.0751	2.2644
C5	1.4144	2.2367	2.2818	1.3734		3.2451	2.2130	1.0740
H6	2.1276	1.0746	2.1709	3.2563	3.2451		4.2472	4.1845
H7	3.3020	3.2163	2.2000	1.0751	2.2130	4.2472		2.8098
H8	2.1335	3.2398	3.3476	2.2644	1.0740	4.1845	2.8098

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	112.487	O1	C2	H6	117.859
O1	C5	C4	107.568	O1	C5	H8	117.387
C2	O1	C5	105.179	C2	N3	C4	105.845
N3	C2	H6	129.654	N3	C4	C5	108.920
N3	C4	H7	122.170	C4	C5	H8	135.044
C5	C4	H7	128.910

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP2/3-21G*

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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All results from a given calculation for C3H3NO (Oxazole)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)