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	hartrees
Energy at 0K	-152.006557
Energy at 298.15K
HF Energy	-151.593679
Nuclear repulsion energy	61.389217

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3497	3223	2.60
2	A₁	1877	1730	0.92
3	A₁	1122	1035	8.97
4	A₁	918	846	48.02
5	A₂	664	612	0.00
6	B₁	571	527	76.68
7	B₂	3423	3155	53.26
8	B₂	988	911	5.21
9	B₂	261	240	4.51

Atom	y (Å)	z (Å)
O1	0.000	0.889
C2	0.637	-0.460
C3	-0.637	-0.460
H4	1.661	-0.794
H5	-1.661	-0.794

	O1	C2	C3	H4	H5
O1		1.4916	1.4916	2.3643	2.3643
C2	1.4916		1.2733	1.0773	2.3218
C3	1.4916	1.2733		2.3218	1.0773
H4	2.3643	1.0773	2.3218		3.3220
H5	2.3643	2.3218	1.0773	3.3220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.733	O1	C2	H4	133.307
O1	C3	C2	64.733	O1	C3	H5	133.307
C2	O1	C3	50.533	C2	C3	H5	161.960
C3	C2	H4	161.960

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: CISD/cc-pVDZ

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: CISD/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)