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	hartrees
Energy at 0K	-245.437408
Energy at 298.15K	-245.441989
HF Energy	-244.647787
Nuclear repulsion energy	161.752877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3313	3242
2	A'	3291	3221
3	A'	3277	3207
4	A'	1578	1545
5	A'	1545	1512
6	A'	1354	1326
7	A'	1266	1239
8	A'	1172	1147
9	A'	1119	1095
10	A'	1100	1077
11	A'	1072	1049
12	A'	916	896
13	A'	905	886
14	A"	849	831
15	A"	831	814
16	A"	748	732
17	A"	652	638
18	A"	612	599

Atom	x (Å)	y (Å)
O1	-1.113	0.315
C2	0.000	1.102
N3	1.142	0.468
C4	0.760	-0.885
C5	-0.608	-0.967
H6	-0.167	2.180
H7	1.495	-1.691
H8	-1.333	-1.780

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3634	2.2602	2.2242	1.3775	2.0919	3.2903	2.1063
C2	1.3634		1.3065	2.1280	2.1568	1.0911	3.1686	3.1756
N3	2.2602	1.3065		1.4062	2.2633	2.1556	2.1879	3.3435
C4	2.2242	2.1280	1.4062		1.3704	3.2029	1.0910	2.2760
C5	1.3775	2.1568	2.2633	1.3704		3.1783	2.2246	1.0892
H6	2.0919	1.0911	2.1556	3.2029	3.1783		4.2135	4.1287
H7	3.2903	3.1686	2.1879	1.0910	2.2246	4.2135		2.8295
H8	2.1063	3.1756	3.3435	2.2760	1.0892	4.1287	2.8295

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.661	O1	C2	H6	116.489
O1	C5	C4	108.077	O1	C5	H8	116.795
C2	O1	C5	103.795	C2	N3	C4	103.275
N3	C2	H6	127.850	N3	C4	C5	109.191
N3	C4	H7	121.845	C4	C5	H8	135.127
C5	C4	H7	128.964

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: CCSD(T)/cc-pVDZ

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)/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)