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	hartrees
Energy at 0K	-151.843443
Energy at 298.15K
HF Energy	-151.505141
Nuclear repulsion energy	58.594356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3396	3272	3.20
2	A₁	1733	1670	0.67
3	A₁	978	943	2.31
4	A₁	772	744	18.44
5	A₂	507	488	0.00
6	B₁	547	527	102.30
7	B₂	3327	3206	28.44
8	B₂	924	890	12.12
9	B₂	116	112	0.08

Atom	y (Å)	z (Å)
O1	0.000	0.967
C2	0.646	-0.502
C3	-0.646	-0.502
H4	1.662	-0.859
H5	-1.662	-0.859

	O1	C2	C3	H4	H5
O1		1.6050	1.6050	2.4696	2.4696
C2	1.6050		1.2923	1.0772	2.3361
C3	1.6050	1.2923		2.3361	1.0772
H4	2.4696	1.0772	2.3361		3.3249
H5	2.4696	2.3361	1.0772	3.3249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	66.259	O1	C2	H4	133.103
O1	C3	C2	66.259	O1	C3	H5	133.103
C2	O1	C3	47.482	C2	C3	H5	160.638
C3	C2	H4	160.638

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: QCISD/6-31G

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

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)