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	hartrees
Energy at 0K	-152.064607
Energy at 298.15K
HF Energy	-151.592907
Nuclear repulsion energy	61.069645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3466	3277	2.66
2	A₁	1811	1712	2.49
3	A₁	1088	1029	9.32
4	A₁	890	841	54.17
5	A₂	506	479	0.00
6	B₁	498	471	93.70
7	B₂	3397	3212	44.61
8	B₂	961	908	6.73
9	B₂	174	165	0.73

Atom	y (Å)	z (Å)
O1	0.000	0.898
C2	0.639	-0.466
C3	-0.639	-0.466
H4	1.656	-0.796
H5	-1.656	-0.796

	O1	C2	C3	H4	H5
O1		1.5055	1.5055	2.3686	2.3686
C2	1.5055		1.2771	1.0698	2.3184
C3	1.5055	1.2771		2.3184	1.0698
H4	2.3686	1.0698	2.3184		3.3125
H5	2.3686	2.3184	1.0698	3.3125

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.902	O1	C2	H4	133.060
O1	C3	C2	64.902	O1	C3	H5	133.060
C2	O1	C3	50.195	C2	C3	H5	162.038
C3	C2	H4	162.038

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: QCISD/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)