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	hartrees
Energy at 0K	-152.211663
Energy at 298.15K
HF Energy	-151.650011
Nuclear repulsion energy	61.524116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3432	3432	2.65
2	A₁	1807	1807	2.44
3	A₁	1094	1094	8.79
4	A₁	900	900	54.70
5	A₂	626	626	0.00
6	B₁	540	540	83.60
7	B₂	3361	3361	48.81
8	B₂	975	975	6.32
9	B₂	237	237	1.65

Atom	y (Å)	z (Å)
O1	0.000	0.890
C2	0.634	-0.461
C3	-0.634	-0.461
H4	1.650	-0.790
H5	-1.650	-0.790

	O1	C2	C3	H4	H5
O1		1.4924	1.4924	2.3546	2.3546
C2	1.4924		1.2674	1.0680	2.3072
C3	1.4924	1.2674		2.3072	1.0680
H4	2.3546	1.0680	2.3072		3.2998
H5	2.3546	2.3072	1.0680	3.2998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.874	O1	C2	H4	133.051
O1	C3	C2	64.874	O1	C3	H5	133.051
C2	O1	C3	50.253	C2	C3	H5	162.076
C3	C2	H4	162.076

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: QCISD/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: QCISD/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)