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	hartrees
Energy at 0K	-243.689718
Energy at 298.15K	-243.694407
HF Energy	-243.249221
Nuclear repulsion energy	160.860501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3418	3184	0.19
2	A'	3398	3166	0.01
3	A'	3383	3152	1.17
4	A'	1603	1494	4.28
5	A'	1554	1448	21.72
6	A'	1388	1293	14.20
7	A'	1325	1235	0.07
8	A'	1207	1125	13.26
9	A'	1099	1024	28.71
10	A'	1069	996	16.65
11	A'	1043	972	14.42
12	A'	943	878	6.33
13	A'	927	864	43.15
14	A"	952	886	0.14
15	A"	915	853	20.37
16	A"	835	778	44.71
17	A"	680	633	25.37
18	A"	635	592	21.21

Atom	x (Å)	y (Å)
O1	0.000	1.144
C2	1.105	0.309
N3	0.759	-0.946
C4	-0.664	-0.972
C5	-1.122	0.303
H6	2.079	0.751
H7	-1.219	-1.887
H8	-2.089	0.760

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3847	2.2231	2.2173	1.4023	2.1159	3.2668	2.1242
C2	1.3847		1.3016	2.1839	2.2272	1.0698	3.1977	3.2257
N3	2.2231	1.3016		1.4233	2.2582	2.1498	2.1911	3.3199
C4	2.2173	2.1839	1.4233		1.3548	3.2393	1.0705	2.2427
C5	1.4023	2.2272	2.2582	1.3548		3.2326	2.1921	1.0693
H6	2.1159	1.0698	2.1498	3.2393	3.2326		4.2237	4.1683
H7	3.2668	3.1977	2.1911	1.0705	2.1921	4.2237		2.7858
H8	2.1242	3.2257	3.3199	2.2427	1.0693	4.1683	2.7858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	111.666	O1	C2	H6	118.529
O1	C5	C4	107.061	O1	C5	H8	117.879
C2	O1	C5	106.096	C2	N3	C4	106.453
N3	C2	H6	129.805	N3	C4	C5	108.724
N3	C4	H7	122.317	C4	C5	H8	135.060
C5	C4	H7	128.959

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: CID/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: CID/3-21G

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)