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	hartrees
Energy at 0K	-245.677106
Energy at 298.15K	-245.681716
HF Energy	-244.718120
Nuclear repulsion energy	162.865871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3311	3141
2	A'	3288	3119
3	A'	3278	3109
4	A'	1572	1492
5	A'	1537	1458
6	A'	1357	1287
7	A'	1278	1212
8	A'	1174	1114
9	A'	1112	1055
10	A'	1105	1048
11	A'	1072	1017
12	A'	917	870
13	A'	908	861
14	A"	871	826
15	A"	849	806
16	A"	761	722
17	A"	655	621
18	A"	618	586

Atom	x (Å)	y (Å)
O1	-1.106	0.312
C2	0.000	1.099
N3	1.130	0.466
C4	0.754	-0.881
C5	-0.599	-0.965
H6	-0.165	2.163
H7	1.482	-1.674
H8	-1.312	-1.768

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3579	2.2420	2.2101	1.3734	2.0768	3.2619	2.0900
C2	1.3579		1.2955	2.1189	2.1489	1.0765	3.1440	3.1532
N3	2.2420	1.2955		1.3987	2.2446	2.1345	2.1687	3.3104
C4	2.2101	2.1189	1.3987		1.3560	3.1797	1.0759	2.2489
C5	1.3734	2.1489	2.2446	1.3560		3.1575	2.1983	1.0744
H6	2.0768	1.0765	2.1345	3.1797	3.1575		4.1751	4.0951
H7	3.2619	3.1440	2.1687	1.0759	2.1983	4.1751		2.7955
H8	2.0900	3.1532	3.3104	2.2489	1.0744	4.0951	2.7955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.316	O1	C2	H6	116.632
O1	C5	C4	108.141	O1	C5	H8	116.740
C2	O1	C5	103.766	C2	N3	C4	103.650
N3	C2	H6	128.051	N3	C4	C5	109.127
N3	C4	H7	121.873	C4	C5	H8	135.119
C5	C4	H7	129.000

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: QCISD(T)/cc-pVTZ

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: QCISD(T)/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)