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	hartrees
Energy at 0K	-245.358560
Energy at 298.15K	-245.363179
HF Energy	-244.630424
Nuclear repulsion energy	163.157307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3368	3162	0.50
2	A'	3347	3142	0.16
3	A'	3334	3129	2.09
4	A'	1653	1551	15.17
5	A'	1602	1503	28.69
6	A'	1413	1326	4.28
7	A'	1316	1235	0.04
8	A'	1237	1161	41.48
9	A'	1158	1087	8.20
10	A'	1147	1076	6.84
11	A'	1113	1045	40.88
12	A'	947	888	15.83
13	A'	931	874	19.48
14	A"	858	806	4.60
15	A"	838	786	23.83
16	A"	759	713	22.58
17	A"	667	626	31.40
18	A"	621	583	4.08

Atom	x (Å)	y (Å)
O1	-1.103	0.309
C2	0.000	1.097
N3	1.128	0.466
C4	0.753	-0.877
C5	-0.598	-0.963
H6	-0.168	2.163
H7	1.485	-1.670
H8	-1.315	-1.767

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3550	2.2359	2.2020	1.3688	2.0762	3.2576	2.0875
C2	1.3550		1.2923	2.1124	2.1452	1.0792	3.1400	3.1518
N3	2.2359	1.2923		1.3942	2.2408	2.1351	2.1654	3.3099
C4	2.2020	2.1124	1.3942		1.3535	3.1762	1.0794	2.2514
C5	1.3688	2.1452	2.2408	1.3535		3.1557	2.1997	1.0774
H6	2.0762	1.0792	2.1351	3.1762	3.1557		4.1740	4.0945
H7	3.2576	3.1400	2.1654	1.0794	2.1997	4.1740		2.8019
H8	2.0875	3.1518	3.3099	2.2514	1.0774	4.0945	2.8019

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.232	O1	C2	H6	116.600
O1	C5	C4	107.970	O1	C5	H8	116.654
C2	O1	C5	103.915	C2	N3	C4	103.617
N3	C2	H6	128.168	N3	C4	C5	109.266
N3	C4	H7	121.665	C4	C5	H8	135.376
C5	C4	H7	129.069

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)