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	hartrees
Energy at 0K	-245.627984
Energy at 298.15K	-245.632603
HF Energy	-244.727796
Nuclear repulsion energy	163.328297

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3342	3179	0.35
2	A'	3322	3161	1.09
3	A'	3310	3149	2.17
4	A'	1552	1477	5.51
5	A'	1516	1442	30.45
6	A'	1362	1296	4.92
7	A'	1283	1221	0.77
8	A'	1190	1132	32.58
9	A'	1144	1089	6.67
10	A'	1115	1061	3.43
11	A'	1092	1039	38.42
12	A'	919	874	21.94
13	A'	909	865	9.98
14	A"	868	826	2.22
15	A"	830	790	34.05
16	A"	767	730	28.53
17	A"	668	635	23.31
18	A"	632	602	3.28

Atom	x (Å)	y (Å)
O1	-1.106	0.311
C2	0.000	1.095
N3	1.130	0.459
C4	0.756	-0.876
C5	-0.600	-0.958
H6	-0.168	2.156
H7	1.481	-1.668
H8	-1.315	-1.757

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3554	2.2410	2.2072	1.3655	2.0696	3.2565	2.0783
C2	1.3554		1.2971	2.1103	2.1383	1.0743	3.1344	3.1403
N3	2.2410	1.2971		1.3859	2.2362	2.1369	2.1551	3.3000
C4	2.2072	2.1103	1.3859		1.3582	3.1690	1.0740	2.2506
C5	1.3655	2.1383	2.2362	1.3582		3.1433	2.1987	1.0726
H6	2.0696	1.0743	2.1369	3.1690	3.1433		4.1640	4.0774
H7	3.2565	3.1344	2.1551	1.0740	2.1987	4.1640		2.7975
H8	2.0783	3.1403	3.3000	2.2506	1.0726	4.0774	2.7975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.298	O1	C2	H6	116.342
O1	C5	C4	108.271	O1	C5	H8	116.445
C2	O1	C5	103.605	C2	N3	C4	103.672
N3	C2	H6	128.360	N3	C4	C5	109.154
N3	C4	H7	121.836	C4	C5	H8	135.284
C5	C4	H7	129.010

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)