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	hartrees
Energy at 0K	-243.747771
Energy at 298.15K	-243.752309
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	3209	0.09
2	A'	3346	3194	0.14
3	A'	3330	3178	0.57
4	A'	1497	1429	2.85
5	A'	1436	1371	5.12
6	A'	1312	1253	23.04
7	A'	1288	1229	3.44
8	A'	1168	1115	11.53
9	A'	1042	994	23.10
10	A'	1027	980	6.28
11	A'	987	942	21.36
12	A'	886	846	7.12
13	A'	875	835	34.15
14	A"	865	825	0.01
15	A"	838	799	40.72
16	A"	775	740	37.21
17	A"	657	627	19.03
18	A"	617	589	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)