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	hartrees
Energy at 0K	-243.693977
Energy at 298.15K	-243.698649
HF Energy	-243.249004
Nuclear repulsion energy	160.717370

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3415	3191	0.21
2	A'	3395	3173	0.02
3	A'	3380	3158	1.27
4	A'	1600	1495	4.38
5	A'	1551	1450	21.78
6	A'	1385	1294	14.55
7	A'	1323	1236	0.05
8	A'	1205	1126	11.77
9	A'	1088	1017	28.80
10	A'	1062	992	13.26
11	A'	1038	970	16.13
12	A'	938	877	4.83
13	A'	923	862	45.09
14	A"	951	889	0.12
15	A"	915	855	20.48
16	A"	834	779	44.83
17	A"	678	633	25.31
18	A"	633	592	21.07

Atom	x (Å)	y (Å)
O1	0.000	1.145
C2	1.106	0.309
N3	0.760	-0.946
C4	-0.664	-0.972
C5	-1.123	0.303
H6	2.080	0.752
H7	-1.220	-1.888
H8	-2.090	0.760

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3861	2.2253	2.2194	1.4039	2.1168	3.2689	2.1254
C2	1.3861		1.3023	2.1851	2.2287	1.0700	3.1989	3.2273
N3	2.2253	1.3023		1.4242	2.2597	2.1506	2.1919	3.3215
C4	2.2194	2.1851	1.4242		1.3554	3.2406	1.0706	2.2435
C5	1.4039	2.2287	2.2597	1.3554		3.2343	2.1927	1.0694
H6	2.1168	1.0700	2.1506	3.2406	3.2343		4.2252	4.1700
H7	3.2689	3.1989	2.1919	1.0706	2.1927	4.2252		2.7867
H8	2.1254	3.2273	3.3215	2.2435	1.0694	4.1700	2.7867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	111.698	O1	C2	H6	118.492
O1	C5	C4	107.076	O1	C5	H8	117.846
C2	O1	C5	106.036	C2	N3	C4	106.448
N3	C2	H6	129.810	N3	C4	C5	108.742
N3	C4	H7	122.308	C4	C5	H8	135.078
C5	C4	H7	128.950

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: CISD/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: CISD/3-21G*

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)