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	hartrees
Energy at 0K	-245.759732
Energy at 298.15K
HF Energy	-244.718638
Nuclear repulsion energy	163.202907

Atom	x (Å)	y (Å)
O1	-1.106	0.310
C2	0.000	1.098
N3	1.129	0.463
C4	0.754	-0.877
C5	-0.597	-0.962
H6	-0.167	2.156
H7	1.476	-1.669
H8	-1.306	-1.763

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3578	2.2399	2.2064	1.3698	2.0713	3.2528	2.0829
C2	1.3578		1.2952	2.1141	2.1450	1.0716	3.1357	3.1452
N3	2.2399	1.2952		1.3915	2.2387	2.1324	2.1598	3.2993
C4	2.2064	2.1141	1.3915		1.3544	3.1703	1.0714	2.2426
C5	1.3698	2.1450	2.2387	1.3544		3.1480	2.1907	1.0695
H6	2.0713	1.0716	2.1324	3.1703	3.1480		4.1631	4.0818
H7	3.2528	3.1357	2.1598	1.0714	2.1907	4.1631		2.7836
H8	2.0829	3.1452	3.2993	2.2426	1.0695	4.0818	2.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.172	O1	C2	H6	116.497
O1	C5	C4	108.177	O1	C5	H8	116.745
C2	O1	C5	103.698	C2	N3	C4	103.728
N3	C2	H6	128.330	N3	C4	C5	109.225
N3	C4	H7	122.011	C4	C5	H8	135.078
C5	C4	H7	128.764

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP4=FULL/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: MP4=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)