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	hartrees
Energy at 0K	-245.725721
Energy at 298.15K	-245.730385
HF Energy	-244.722731
Nuclear repulsion energy	163.875663

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3342	3180	0.28
2	A'	3320	3159	1.34
3	A'	3306	3146	2.75
4	A'	1563	1487	6.04
5	A'	1521	1447	34.23
6	A'	1368	1301	3.93
7	A'	1277	1215	0.59
8	A'	1193	1135	33.72
9	A'	1153	1097	6.34
10	A'	1114	1060	2.85
11	A'	1094	1040	39.45
12	A'	922	877	20.87
13	A'	912	868	10.65
14	A"	895	852	2.74
15	A"	857	815	32.02
16	A"	794	755	27.80
17	A"	674	642	25.05
18	A"	637	606	3.38

Atom	x (Å)	y (Å)
O1	-1.101	0.310
C2	0.000	1.093
N3	1.125	0.457
C4	0.753	-0.873
C5	-0.597	-0.956
H6	-0.168	2.151
H7	1.475	-1.663
H8	-1.310	-1.753

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3514	2.2316	2.1996	1.3620	2.0640	3.2452	2.0733
C2	1.3514		1.2928	2.1056	2.1340	1.0711	3.1262	3.1331
N3	2.2316	1.2928		1.3812	2.2279	2.1315	2.1487	3.2887
C4	2.1996	2.1056	1.3812		1.3531	3.1613	1.0703	2.2430
C5	1.3620	2.1340	2.2279	1.3531		3.1360	2.1902	1.0695
H6	2.0640	1.0711	2.1315	3.1613	3.1360		4.1530	4.0674
H7	3.2452	3.1262	2.1487	1.0703	2.1902	4.1530		2.7870
H8	2.0733	3.1331	3.2887	2.2430	1.0695	4.0674	2.7870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.097	O1	C2	H6	116.385
O1	C5	C4	108.218	O1	C5	H8	116.498
C2	O1	C5	103.713	C2	N3	C4	103.840
N3	C2	H6	128.518	N3	C4	C5	109.132
N3	C4	H7	121.922	C4	C5	H8	135.284
C5	C4	H7	128.946

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP2=FULL/aug-cc-pVTZ

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=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)