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	hartrees
Energy at 0K	-151.047821
Energy at 298.15K
HF Energy	-150.724963
Nuclear repulsion energy	58.973178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3389	3295	3.87
2	A₁	1733	1685	2.16
3	A₁	1042	1013	1.89
4	A₁	838	815	11.97
5	A₂	568	553	0.00
6	B₁	548	533	103.03
7	B₂	3321	3229	20.77
8	B₂	957	930	12.49
9	B₂	395	384	1.15

Atom	y (Å)	z (Å)
O1	0.000	0.962
C2	0.642	-0.495
C3	-0.642	-0.495
H4	1.645	-0.875
H5	-1.645	-0.875

	O1	C2	C3	H4	H5
O1		1.5928	1.5928	2.4665	2.4665
C2	1.5928		1.2848	1.0726	2.3192
C3	1.5928	1.2848		2.3192	1.0726
H4	2.4665	1.0726	2.3192		3.2909
H5	2.4665	2.3192	1.0726	3.2909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	66.213	O1	C2	H4	134.535
O1	C3	C2	66.213	O1	C3	H5	134.535
C2	O1	C3	47.573	C2	C3	H5	159.251
C3	C2	H4	159.251

All results from a given calculation for C₂H₂O (Oxirene)

using model chemistry: CCD/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: CCD/3-21G

States and conformations

All results from a given calculation for C₂H₂O (Oxirene)