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	hartrees
Energy at 0K	-243.758622
Energy at 298.15K	-243.763184
HF Energy	-243.245983
Nuclear repulsion energy	159.477230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3325	3180	0.13
2	A'	3309	3165	0.10
3	A'	3292	3149	0.58
4	A'	1545	1478	1.87
5	A'	1494	1429	15.92
6	A'	1343	1285	15.97
7	A'	1290	1234	0.23
8	A'	1174	1123	15.14
9	A'	1072	1025	31.60
10	A'	1038	993	14.96
11	A'	998	955	12.88
12	A'	904	865	4.64
13	A'	893	854	40.76
14	A"	887	849	0.49
15	A"	857	820	23.96
16	A"	786	752	38.83
17	A"	654	626	22.60
18	A"	609	582	18.23

Atom	x (Å)	y (Å)
O1	-1.114	0.311
C2	0.000	1.152
N3	1.127	0.479
C4	0.764	-0.906
C5	-0.600	-1.003
H6	-0.165	2.216
H7	1.501	-1.694
H8	-1.305	-1.816

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3954	2.2469	2.2378	1.4104	2.1289	3.2942	2.1354
C2	1.3954		1.3125	2.1950	2.2361	1.0774	3.2168	3.2421
N3	2.2469	1.3125		1.4315	2.2750	2.1650	2.2044	3.3440
C4	2.2378	2.1950	1.4315		1.3674	3.2576	1.0781	2.2610
C5	1.4104	2.2361	2.2750	1.3674		3.2482	2.2109	1.0769
H6	2.1289	1.0774	2.1650	3.2576	3.2482		4.2499	4.1907
H7	3.2942	3.2168	2.2044	1.0781	2.2109	4.2499		2.8084
H8	2.1354	3.2421	3.3440	2.2610	1.0769	4.1907	2.8084

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	112.106	O1	C2	H6	118.273
O1	C5	C4	107.323	O1	C5	H8	117.682
C2	O1	C5	105.681	C2	N3	C4	106.168
N3	C2	H6	129.621	N3	C4	C5	108.721
N3	C4	H7	122.275	C4	C5	H8	134.995
C5	C4	H7	129.004

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: CCD/3-21G*

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: CCD/3-21G*

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)