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	hartrees
Energy at 0K	-245.004019
Energy at 298.15K	-245.008468
HF Energy	-244.493664
Nuclear repulsion energy	158.760168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3362	3216	0.24
2	A'	3352	3207	0.52
3	A'	3326	3182	0.91
4	A'	1514	1449	2.48
5	A'	1447	1384	15.94
6	A'	1318	1261	20.18
7	A'	1265	1210	2.02
8	A'	1163	1113	12.39
9	A'	1050	1004	2.41
10	A'	1011	967	16.55
11	A'	1007	963	41.57
12	A'	887	848	13.63
13	A'	868	830	35.05
14	A"	803	769	9.45
15	A"	785	751	48.32
16	A"	720	688	13.52
17	A"	640	612	30.86
18	A"	596	571	9.39

Atom	x (Å)	y (Å)
O1	-1.120	0.313
C2	0.000	1.154
N3	1.138	0.474
C4	0.769	-0.906
C5	-0.607	-1.004
H6	-0.164	2.220
H7	1.507	-1.694
H8	-1.320	-1.813

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.4005	2.2641	2.2481	1.4134	2.1328	3.3058	2.1358
C2	1.4005		1.3257	2.1987	2.2416	1.0784	3.2217	3.2473
N3	2.2641	1.3257		1.4288	2.2872	2.1779	2.1990	3.3576
C4	2.2481	2.1987	1.4288		1.3794	3.2620	1.0795	2.2768
C5	1.4134	2.2416	2.2872	1.3794		3.2540	2.2237	1.0782
H6	2.1328	1.0784	2.1779	3.2620	3.2540		4.2552	4.1953
H7	3.3058	3.2217	2.1990	1.0795	2.2237	4.2552		2.8289
H8	2.1358	3.2473	3.3576	2.2768	1.0782	4.1953	2.8289

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	112.265	O1	C2	H6	118.138
O1	C5	C4	107.209	O1	C5	H8	117.369
C2	O1	C5	105.613	C2	N3	C4	105.855
N3	C2	H6	129.597	N3	C4	C5	109.058
N3	C4	H7	121.870	C4	C5	H8	135.422
C5	C4	H7	129.072

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)