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	hartrees
Energy at 0K	-244.945645
Energy at 298.15K	-244.950281
HF Energy	-244.500131
Nuclear repulsion energy	160.816103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3422	3209	0.42
2	A'	3410	3197	0.50
3	A'	3383	3173	1.93
4	A'	1625	1524	5.82
5	A'	1572	1474	31.39
6	A'	1388	1302	10.42
7	A'	1309	1227	0.30
8	A'	1205	1130	14.88
9	A'	1096	1028	14.08
10	A'	1083	1016	28.60
11	A'	1054	988	28.68
12	A'	938	880	0.26
13	A'	928	870	52.09
14	A"	902	846	0.11
15	A"	871	817	29.00
16	A"	802	752	31.51
17	A"	666	625	36.16
18	A"	621	582	16.94

Atom	x (Å)	y (Å)
O1	0.000	1.143
C2	1.105	0.311
N3	0.759	-0.948
C4	-0.662	-0.973
C5	-1.124	0.306
H6	2.083	0.752
H7	-1.215	-1.893
H8	-2.092	0.769

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3832	2.2239	2.2162	1.4013	2.1193	3.2698	2.1255
C2	1.3832		1.3054	2.1839	2.2296	1.0729	3.2001	3.2301
N3	2.2239	1.3054		1.4210	2.2626	2.1550	2.1886	3.3280
C4	2.2162	2.1839	1.4210		1.3599	3.2418	1.0740	2.2534
C5	1.4013	2.2296	2.2626	1.3599		3.2383	2.2012	1.0727
H6	2.1193	1.0729	2.1550	3.2418	3.2383		4.2280	4.1754
H7	3.2698	3.2001	2.1886	1.0740	2.2012	4.2280		2.8026
H8	2.1255	3.2301	3.3280	2.2534	1.0727	4.1754	2.8026

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	111.582	O1	C2	H6	118.734
O1	C5	C4	106.756	O1	C5	H8	117.824
C2	O1	C5	106.392	C2	N3	C4	106.380
N3	C2	H6	129.684	N3	C4	C5	108.889
N3	C4	H7	122.001	C4	C5	H8	135.420
C5	C4	H7	129.109

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: CISD/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: CISD/6-31G

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)