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	hartrees
Energy at 0K	-245.696155
Energy at 298.15K	-245.691692
HF Energy	-244.630089
Nuclear repulsion energy	165.364949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3491	3491	1.17
2	A'	3463	3463	1.63
3	A'	3450	3450	4.12
4	A'	1775	1775	35.30
5	A'	1712	1712	32.43
6	A'	1498	1498	11.56
7	A'	1392	1392	0.26
8	A'	1291	1291	37.88
9	A'	1222	1222	17.52
10	A'	1188	1188	12.61
11	A'	1158	1158	47.62
12	A'	1016	1016	15.62
13	A'	994	994	24.01
14	A"	1008	1008	1.65
15	A"	984	984	6.03
16	A"	868	868	34.23
17	A"	711	711	34.76
18	A"	672	672	11.90

Atom	x (Å)	y (Å)
O1	-1.078	0.306
C2	0.000	1.083
N3	1.105	0.467
C4	0.738	-0.868
C5	-0.589	-0.955
H6	-0.168	2.139
H7	1.466	-1.653
H8	-1.300	-1.751

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3293	2.1891	2.1630	1.3525	2.0472	3.2108	2.0689
C2	1.3293		1.2649	2.0862	2.1212	1.0696	3.1038	3.1182
N3	2.1891	1.2649		1.3845	2.2111	2.1016	2.1504	3.2715
C4	2.1630	2.0862	1.3845		1.3297	3.1411	1.0701	2.2213
C5	1.3525	2.1212	2.2111	1.3297		3.1227	2.1697	1.0678
H6	2.0472	1.0696	2.1016	3.1411	3.1227		4.1292	4.0519
H7	3.2108	3.1038	2.1504	1.0701	2.1697	4.1292		2.7674
H8	2.0689	3.1182	3.2715	2.2213	1.0678	4.0519	2.7674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.070	O1	C2	H6	116.745
O1	C5	C4	107.494	O1	C5	H8	116.995
C2	O1	C5	104.549	C2	N3	C4	103.800
N3	C2	H6	128.185	N3	C4	C5	109.087
N3	C4	H7	121.823	C4	C5	H8	135.511
C5	C4	H7	129.091

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)