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	hartrees
Energy at 0K	-152.206952
Energy at 298.15K
HF Energy	-151.643123
Nuclear repulsion energy	61.634546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3423	3265	2.94
2	A₁	1807	1723	3.10
3	A₁	1095	1045	12.95
4	A₁	903	861	57.52
5	A₂	637	607	0.00
6	B₁	539	514	80.53
7	B₂	3353	3198	50.98
8	B₂	986	940	6.19
9	B₂	263	251	1.05

Atom	y (Å)	z (Å)
O1	0.000	0.886
C2	0.633	-0.460
C3	-0.633	-0.460
H4	1.652	-0.785
H5	-1.652	-0.785

	O1	C2	C3	H4	H5
O1		1.4878	1.4878	2.3503	2.3503
C2	1.4878		1.2668	1.0693	2.3084
C3	1.4878	1.2668		2.3084	1.0693
H4	2.3503	1.0693	2.3084		3.3040
H5	2.3503	2.3084	1.0693	3.3040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	64.805	O1	C2	H4	132.913
O1	C3	C2	64.805	O1	C3	H5	132.913
C2	O1	C3	50.391	C2	C3	H5	162.282
C3	C2	H4	162.282

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: QCISD/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)