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	hartrees
Energy at 0K	-245.733942
Energy at 298.15K
HF Energy	-244.724096
Nuclear repulsion energy	164.242875

Atom	x (Å)	y (Å)
O1	-1.096	0.308
C2	0.000	1.090
N3	1.118	0.463
C4	0.748	-0.873
C5	-0.592	-0.958
H6	-0.166	2.148
H7	1.472	-1.661
H8	-1.301	-1.757

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3463	2.2196	2.1897	1.3625	2.0609	3.2355	2.0759
C2	1.3463		1.2819	2.1007	2.1318	1.0704	3.1197	3.1307
N3	2.2196	1.2819		1.3865	2.2237	2.1182	2.1533	3.2839
C4	2.1897	2.1007	1.3865		1.3429	3.1557	1.0697	2.2317
C5	1.3625	2.1318	2.2237	1.3429		3.1343	2.1802	1.0686
H6	2.0609	1.0704	2.1182	3.1557	3.1343		4.1455	4.0666
H7	3.2355	3.1197	2.1533	1.0697	2.1802	4.1455		2.7740
H8	2.0759	3.1307	3.2839	2.2317	1.0686	4.0666	2.7740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.221	O1	C2	H6	116.569
O1	C5	C4	108.073	O1	C5	H8	116.762
C2	O1	C5	103.809	C2	N3	C4	103.784
N3	C2	H6	128.210	N3	C4	C5	109.113
N3	C4	H7	121.952	C4	C5	H8	135.165
C5	C4	H7	128.935

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: CCSD=FULL/aug-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: CCSD=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)