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	hartrees
Energy at 0K	-189.231725
Energy at 298.15K	-189.234624
HF Energy	-188.623063
Nuclear repulsion energy	73.826706

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3136	2971	23.90
2	A₁	1588	1504	4.73
3	A₁	1361	1289	36.60
4	A₁	836	792	1.64
5	A₂	1063	1007	0.00
6	B₁	3234	3064	25.46
7	B₁	1213	1149	8.70
8	B₂	1307	1238	1.32
9	B₂	980	928	21.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.727
H2	0.925	0.000	1.300
H3	-0.925	0.000	1.300
O4	0.000	0.742	-0.435
O5	0.000	-0.742	-0.435

	C1	H2	H3	O4	O5
C1		1.0882	1.0882	1.3793	1.3793
H2	1.0882		1.8503	2.1022	2.1022
H3	1.0882	1.8503		2.1022	2.1022
O4	1.3793	2.1022	2.1022		1.4841
O5	1.3793	2.1022	2.1022	1.4841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	57.453	C1	O5	O4	57.453
H2	C1	H3	116.461	H2	C1	O4	116.347
H2	C1	O5	116.347	H3	C1	O4	116.347
H3	C1	O5	116.347	O4	C1	O5	65.094

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: CCD/6-31G(2df,p)

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 CH2O2 (Dioxirane)

using model chemistry: CCD/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)