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	hartrees
Energy at 0K	-189.139932
Energy at 298.15K	-189.142787
HF Energy	-188.608352
Nuclear repulsion energy	72.739526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3160	2987	30.03
2	A₁	1599	1511	7.59
3	A₁	1314	1243	40.21
4	A₁	766	724	1.05
5	A₂	1048	990	0.00
6	B₁	3261	3082	27.28
7	B₁	1203	1137	8.31
8	B₂	1294	1223	1.20
9	B₂	923	872	23.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.732
H2	0.925	0.000	1.301
H3	-0.925	0.000	1.301
O4	0.000	0.763	-0.437
O5	0.000	-0.763	-0.437

	C1	H2	H3	O4	O5
C1		1.0860	1.0860	1.3960	1.3960
H2	1.0860		1.8497	2.1116	2.1116
H3	1.0860	1.8497		2.1116	2.1116
O4	1.3960	2.1116	2.1116		1.5259
O5	1.3960	2.1116	2.1116	1.5259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	56.871	C1	O5	O4	56.871
H2	C1	H3	116.781	H2	C1	O4	116.035
H2	C1	O5	116.035	H3	C1	O4	116.035
H3	C1	O5	116.035	O4	C1	O5	66.257

All results from a given calculation for CH₂O₂ (Dioxirane)

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 CH2O2 (Dioxirane)

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

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)