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	hartrees
Energy at 0K	-189.111746
Energy at 298.15K	-189.114601
HF Energy	-188.600587
Nuclear repulsion energy	72.772026

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3115	2966	27.90
2	A₁	1599	1523	7.06
3	A₁	1324	1260	35.77
4	A₁	781	743	1.71
5	A₂	1038	988	0.00
6	B₁	3208	3055	40.52
7	B₁	1208	1150	8.50
8	B₂	1278	1217	1.67
9	B₂	932	888	17.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.730
H2	0.927	0.000	1.310
H3	-0.927	0.000	1.310
O4	0.000	0.747	-0.437
O5	0.000	-0.747	-0.437

	C1	H2	H3	O4	O5
C1		1.0936	1.0936	1.3861	1.3861
H2	1.0936		1.8540	2.1147	2.1147
H3	1.0936	1.8540		2.1147	2.1147
O4	1.3861	2.1147	2.1147		1.4946
O5	1.3861	2.1147	2.1147	1.4946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	57.374	C1	O5	O4	57.374
H2	C1	H3	115.918	H2	C1	O4	116.539
H2	C1	O5	116.539	H3	C1	O4	116.539
H3	C1	O5	116.539	O4	C1	O5	65.252

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: QCISD/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)