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	hartrees
Energy at 0K	-152.220194
Energy at 298.15K
HF Energy	-151.647159
Nuclear repulsion energy	61.503009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3421	3421	3.06
2	A₁	1805	1805	3.28
3	A₁	1087	1087	11.68
4	A₁	898	898	59.04
5	A₂	633	633	0.00
6	B₁	542	542	78.20
7	B₂	3348	3348	51.14
8	B₂	984	984	6.59
9	B₂	257	257	0.89

Atom	y (Å)	z (Å)
O1	0.000	0.890
C2	0.634	-0.462
C3	-0.634	-0.462
H4	1.651	-0.790
H5	-1.651	-0.790

	O1	C2	C3	H4	H5
O1		1.4930	1.4930	2.3555	2.3555
C2	1.4930		1.2677	1.0686	2.3080
C3	1.4930	1.2677		2.3080	1.0686
H4	2.3555	1.0686	2.3080		3.3014
H5	2.3555	2.3080	1.0686	3.3014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.878	O1	C2	H4	133.032
O1	C3	C2	64.878	O1	C3	H5	133.032
C2	O1	C3	50.244	C2	C3	H5	162.090
C3	C2	H4	162.090

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: QCISD/daug-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 C2H2O (Oxirene)

using model chemistry: QCISD/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)