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	hartrees
Energy at 0K	-245.419202
Energy at 298.15K	-245.423748
HF Energy	-244.628476
Nuclear repulsion energy	162.372822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3317	3220
2	A'	3295	3198
3	A'	3281	3185
4	A'	1599	1552
5	A'	1561	1515
6	A'	1375	1335
7	A'	1290	1253
8	A'	1195	1160
9	A'	1123	1090
10	A'	1123	1090
11	A'	1082	1050
12	A'	921	894
13	A'	910	884
14	A"	829	805
15	A"	817	793
16	A"	730	709
17	A"	653	634
18	A"	608	590

Atom	x (Å)	y (Å)
O1	-1.109	0.311
C2	0.000	1.102
N3	1.134	0.468
C4	0.756	-0.881
C5	-0.599	-0.969
H6	-0.169	2.172
H7	1.491	-1.677
H8	-1.322	-1.774

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3626	2.2488	2.2139	1.3782	2.0855	3.2733	2.0957
C2	1.3626		1.2992	2.1228	2.1564	1.0834	3.1538	3.1652
N3	2.2488	1.2992		1.4015	2.2517	2.1451	2.1746	3.3250
C4	2.2139	2.1228	1.4015		1.3581	3.1907	1.0831	2.2610
C5	1.3782	2.1564	2.2517	1.3581		3.1710	2.2069	1.0812
H6	2.0855	1.0834	2.1451	3.1907	3.1710		4.1919	4.1112
H7	3.2733	3.1538	2.1746	1.0831	2.2069	4.1919		2.8142
H8	2.0957	3.1652	3.3250	2.2610	1.0812	4.1112	2.8142

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.292	O1	C2	H6	116.531
O1	C5	C4	108.014	O1	C5	H8	116.371
C2	O1	C5	103.773	C2	N3	C4	103.569
N3	C2	H6	128.177	N3	C4	C5	109.353
N3	C4	H7	121.612	C4	C5	H8	135.615
C5	C4	H7	129.035

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: CCSD(T)=FULL/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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All results from a given calculation for C3H3NO (Oxazole)

using model chemistry: CCSD(T)=FULL/6-31G*

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)