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	hartrees
Energy at 0K	-245.538275
Energy at 298.15K	-245.542743
HF Energy	-244.707793
Nuclear repulsion energy	162.685511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3324	3199
2	A'	3300	3176
3	A'	3288	3165
4	A'	1576	1517
5	A'	1541	1483
6	A'	1363	1312
7	A'	1294	1245
8	A'	1180	1135
9	A'	1111	1069
10	A'	1107	1066
11	A'	1076	1036
12	A'	925	890
13	A'	912	877
14	A"	789	760
15	A"	752	724
16	A"	676	651
17	A"	628	605
18	A"	560	539

Atom	x (Å)	y (Å)
O1	-1.108	0.310
C2	0.000	1.101
N3	1.130	0.469
C4	0.755	-0.881
C5	-0.598	-0.967
H6	-0.168	2.166
H7	1.487	-1.673
H8	-1.312	-1.773

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3611	2.2434	2.2111	1.3755	2.0804	3.2652	2.0928
C2	1.3611		1.2952	2.1216	2.1533	1.0780	3.1471	3.1590
N3	2.2434	1.2952		1.4014	2.2469	2.1366	2.1708	3.3144
C4	2.2111	2.1216	1.4014		1.3555	3.1841	1.0777	2.2504
C5	1.3755	2.1533	2.2469	1.3555		3.1629	2.2006	1.0760
H6	2.0804	1.0780	2.1366	3.1841	3.1629		4.1800	4.1015
H7	3.2652	3.1471	2.1708	1.0777	2.2006	4.1800		2.7999
H8	2.0928	3.1590	3.3144	2.2504	1.0760	4.1015	2.7999

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.233	O1	C2	H6	116.593
O1	C5	C4	108.118	O1	C5	H8	116.700
C2	O1	C5	103.782	C2	N3	C4	103.701
N3	C2	H6	128.174	N3	C4	C5	109.166
N3	C4	H7	121.707	C4	C5	H8	135.182
C5	C4	H7	129.126

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: CCSD(T)/TZVP

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)/TZVP

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)