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	hartrees
Energy at 0K	-245.373203
Energy at 298.15K	-245.377793
HF Energy	-244.634648
Nuclear repulsion energy	162.758773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3389	3174	0.40
2	A'	3369	3155	0.16
3	A'	3356	3143	1.75
4	A'	1584	1484	4.03
5	A'	1547	1449	30.53
6	A'	1390	1301	6.25
7	A'	1301	1219	0.41
8	A'	1211	1134	35.01
9	A'	1157	1084	4.54
10	A'	1135	1063	4.24
11	A'	1103	1033	36.34
12	A'	920	862	20.79
13	A'	911	854	11.77
14	A"	838	785	5.72
15	A"	814	762	32.19
16	A"	742	695	16.52
17	A"	666	624	23.93
18	A"	621	582	1.52

Atom	x (Å)	y (Å)
O1	-1.111	0.311
C2	0.000	1.098
N3	1.136	0.461
C4	0.758	-0.876
C5	-0.602	-0.962
H6	-0.169	2.160
H7	1.484	-1.668
H8	-1.317	-1.762

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3612	2.2516	2.2130	1.3703	2.0747	3.2630	2.0833
C2	1.3612		1.3025	2.1142	2.1458	1.0752	3.1390	3.1488
N3	2.2516	1.3025		1.3893	2.2459	2.1425	2.1573	3.3105
C4	2.2130	2.1142	1.3893		1.3621	3.1740	1.0749	2.2559
C5	1.3703	2.1458	2.2459	1.3621		3.1512	2.2023	1.0734
H6	2.0747	1.0752	2.1425	3.1740	3.1512		4.1697	4.0864
H7	3.2630	3.1390	2.1573	1.0749	2.2023	4.1697		2.8024
H8	2.0833	3.1488	3.3105	2.2559	1.0734	4.0864	2.8024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.387	O1	C2	H6	116.267
O1	C5	C4	108.175	O1	C5	H8	116.446
C2	O1	C5	103.544	C2	N3	C4	103.470
N3	C2	H6	128.346	N3	C4	C5	109.424
N3	C4	H7	121.672	C4	C5	H8	135.379
C5	C4	H7	128.904

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)