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	hartrees
Energy at 0K	-245.843668
Energy at 298.15K	-245.848273
HF Energy	-245.591489
Nuclear repulsion energy	163.020704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3356	3356	0.49
2	A'	3333	3333	0.20
3	A'	3318	3318	2.47
4	A'	1593	1593	8.60
5	A'	1552	1552	28.30
6	A'	1380	1380	5.32
7	A'	1294	1294	0.20
8	A'	1187	1187	23.93
9	A'	1139	1139	8.17
10	A'	1118	1118	7.93
11	A'	1087	1087	35.58
12	A'	926	926	17.32
13	A'	916	916	17.83
14	A"	864	864	2.59
15	A"	833	833	22.76
16	A"	757	757	22.36
17	A"	666	666	24.30
18	A"	626	626	3.56

Atom	x (Å)	y (Å)
O1	-1.106	0.309
C2	0.000	1.099
N3	1.130	0.464
C4	0.755	-0.876
C5	-0.599	-0.964
H6	-0.169	2.162
H7	1.485	-1.667
H8	-1.313	-1.767

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3588	2.2409	2.2060	1.3709	2.0759	3.2583	2.0861
C2	1.3588		1.2959	2.1136	2.1479	1.0764	3.1388	3.1517
N3	2.2409	1.2959		1.3907	2.2418	2.1377	2.1598	3.3076
C4	2.2060	2.1136	1.3907		1.3563	3.1746	1.0764	2.2516
C5	1.3709	2.1479	2.2418	1.3563		3.1553	2.1985	1.0743
H6	2.0759	1.0764	2.1377	3.1746	3.1553		4.1703	4.0914
H7	3.2583	3.1388	2.1598	1.0764	2.1985	4.1703		2.7995
H8	2.0861	3.1517	3.3076	2.2516	1.0743	4.0914	2.7995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.143	O1	C2	H6	116.483
O1	C5	C4	107.976	O1	C5	H8	116.593
C2	O1	C5	103.792	C2	N3	C4	103.706
N3	C2	H6	128.374	N3	C4	C5	109.383
N3	C4	H7	121.677	C4	C5	H8	135.431
C5	C4	H7	128.940

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31G**

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)