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	hartrees
Energy at 0K	-245.900592
Energy at 298.15K	-245.905225
HF Energy	-245.606581
Nuclear repulsion energy	163.461134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3337	3337	0.52
2	A'	3313	3313	0.36
3	A'	3302	3302	2.27
4	A'	1576	1576	10.21
5	A'	1538	1538	23.75
6	A'	1365	1365	5.34
7	A'	1284	1284	0.42
8	A'	1183	1183	23.80
9	A'	1134	1134	6.86
10	A'	1114	1114	11.10
11	A'	1085	1085	29.33
12	A'	929	929	17.09
13	A'	918	918	17.84
14	A"	874	874	2.05
15	A"	851	851	18.31
16	A"	774	774	24.10
17	A"	672	672	22.21
18	A"	634	634	3.73

Atom	x (Å)	y (Å)
O1	-1.103	0.310
C2	0.000	1.094
N3	1.128	0.462
C4	0.753	-0.875
C5	-0.597	-0.959
H6	-0.170	2.156
H7	1.481	-1.667
H8	-1.315	-1.758

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3533	2.2358	2.2019	1.3660	2.0686	3.2533	2.0785
C2	1.3533		1.2929	2.1083	2.1385	1.0757	3.1331	3.1405
N3	2.2358	1.2929		1.3885	2.2351	2.1345	2.1577	3.3005
C4	2.2019	2.1083	1.3885		1.3530	3.1689	1.0756	2.2485
C5	1.3660	2.1385	2.2351	1.3530		3.1447	2.1956	1.0736
H6	2.0686	1.0757	2.1345	3.1689	3.1447		4.1645	4.0780
H7	3.2533	3.1331	2.1577	1.0756	2.1956	4.1645		2.7975
H8	2.0785	3.1405	3.3005	2.2485	1.0736	4.0780	2.7975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.302	O1	C2	H6	116.309
O1	C5	C4	108.152	O1	C5	H8	116.340
C2	O1	C5	103.702	C2	N3	C4	103.620
N3	C2	H6	128.389	N3	C4	C5	109.224
N3	C4	H7	121.738	C4	C5	H8	135.508
C5	C4	H7	129.038

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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(2df,p)

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)