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	hartrees
Energy at 0K	-151.054722
Energy at 298.15K
HF Energy	-150.723868
Nuclear repulsion energy	58.614785

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3377	3273	3.87
2	A₁	1720	1667	1.51
3	A₁	999	968	4.97
4	A₁	795	771	7.86
5	A₂	539	522	0.00
6	B₁	547	531	98.78
7	B₂	3309	3207	24.62
8	B₂	922	894	12.86
9	B₂	190	184	1.42

Atom	y (Å)	z (Å)
O1	0.000	0.973
C2	0.643	-0.502
C3	-0.643	-0.502
H4	1.648	-0.879
H5	-1.648	-0.879

	O1	C2	C3	H4	H5
O1		1.6089	1.6089	2.4790	2.4790
C2	1.6089		1.2862	1.0732	2.3217
C3	1.6089	1.2862		2.3217	1.0732
H4	2.4790	1.0732	2.3217		3.2955
H5	2.4790	2.3217	1.0732	3.2955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	66.440	O1	C2	H4	134.142
O1	C3	C2	66.440	O1	C3	H5	134.142
C2	O1	C3	47.119	C2	C3	H5	159.418
C3	C2	H4	159.418

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: QCISD/3-21G

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/3-21G

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)