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	hartrees
Energy at 0K	-245.398659
Energy at 298.15K	-245.403193
HF Energy	-244.628049
Nuclear repulsion energy	162.214952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3314	3189
2	A'	3295	3170
3	A'	3278	3154
4	A'	1596	1536
5	A'	1558	1499
6	A'	1373	1321
7	A'	1289	1240
8	A'	1191	1146
9	A'	1122	1079
10	A'	1121	1078
11	A'	1080	1039
12	A'	918	884
13	A'	909	874
14	A"	823	791
15	A"	812	781
16	A"	724	696
17	A"	651	626
18	A"	604	581

Atom	x (Å)	y (Å)
O1	-1.111	0.311
C2	0.000	1.104
N3	1.135	0.468
C4	0.757	-0.882
C5	-0.600	-0.970
H6	-0.169	2.174
H7	1.493	-1.677
H8	-1.320	-1.777

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3646	2.2510	2.2164	1.3794	2.0875	3.2765	2.0990
C2	1.3646		1.3005	2.1254	2.1588	1.0835	3.1564	3.1689
N3	2.2510	1.3005		1.4025	2.2533	2.1468	2.1750	3.3266
C4	2.2164	2.1254	1.4025		1.3595	3.1934	1.0836	2.2611
C5	1.3794	2.1588	2.2533	1.3595		3.1736	2.2095	1.0815
H6	2.0875	1.0835	2.1468	3.1934	3.1736		4.1944	4.1156
H7	3.2765	3.1564	2.1750	1.0836	2.2095	4.1944		2.8149
H8	2.0990	3.1689	3.3266	2.2611	1.0815	4.1156	2.8149

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.243	O1	C2	H6	116.548
O1	C5	C4	108.042	O1	C5	H8	116.535
C2	O1	C5	103.762	C2	N3	C4	103.619
N3	C2	H6	128.209	N3	C4	C5	109.334
N3	C4	H7	121.533	C4	C5	H8	135.423
C5	C4	H7	129.133

All results from a given calculation for C₃H₃NO (Oxazole)

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

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)