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	hartrees
Energy at 0K	-152.263514
Energy at 298.15K
HF Energy	-151.650963
Nuclear repulsion energy	61.861754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3463	3463	3.17
2	A₁	1832	1832	2.83
3	A₁	1128	1128	13.02
4	A₁	924	924	52.42
5	A₂	676	676	0.00
6	B₁	560	560	87.03
7	B₂	3389	3389	50.36
8	B₂	992	992	6.65
9	B₂	404	404	0.91

Atom	y (Å)	z (Å)
O1	0.000	0.884
C2	0.631	-0.458
C3	-0.631	-0.458
H4	1.643	-0.788
H5	-1.643	-0.788

	O1	C2	C3	H4	H5
O1		1.4824	1.4824	2.3439	2.3439
C2	1.4824		1.2627	1.0640	2.2979
C3	1.4824	1.2627		2.2979	1.0640
H4	2.3439	1.0640	2.2979		3.2852
H5	2.3439	2.2979	1.0640	3.2852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.793	O1	C2	H4	133.321
O1	C3	C2	64.793	O1	C3	H5	133.321
C2	O1	C3	50.414	C2	C3	H5	161.886
C3	C2	H4	161.886

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: MP3=FULL/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 C2H2O (Oxirene)

using model chemistry: MP3=FULL/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)