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	hartrees
Energy at 0K	-152.138358
Energy at 298.15K
HF Energy	-151.599805
Nuclear repulsion energy	61.450424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3457	3275	2.32
2	A₁	1815	1720	1.12
3	A₁	1103	1045	4.07
4	A₁	904	856	45.14
5	A₂	551	522	0.00
6	B₁	549	520	70.33
7	B₂	3385	3207	48.27
8	B₂	962	911	5.96
9	B₂	191	181	0.83

Atom	y (Å)	z (Å)
O1	0.000	0.891
C2	0.634	-0.462
C3	-0.634	-0.462
H4	1.652	-0.788
H5	-1.652	-0.788

	O1	C2	C3	H4	H5
O1		1.4946	1.4946	2.3559	2.3559
C2	1.4946		1.2686	1.0690	2.3098
C3	1.4946	1.2686		2.3098	1.0690
H4	2.3559	1.0690	2.3098		3.3048
H5	2.3559	2.3098	1.0690	3.3048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.888	O1	C2	H4	132.859
O1	C3	C2	64.888	O1	C3	H5	132.859
C2	O1	C3	50.223	C2	C3	H5	162.252
C3	C2	H4	162.252

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: QCISD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)