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	hartrees
Energy at 0K	-189.343075
Energy at 298.15K	-189.345959
HF Energy	-188.681907
Nuclear repulsion energy	73.565205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3112	2974	30.16
2	A₁	1575	1506	2.68
3	A₁	1337	1278	43.96
4	A₁	812	776	1.11
5	A₂	1057	1010	0.00
6	B₁	3207	3066	18.52
7	B₁	1194	1141	7.86
8	B₂	1295	1238	3.00
9	B₂	941	899	25.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.727
H2	0.923	0.000	1.299
H3	-0.923	0.000	1.299
O4	0.000	0.739	-0.435
O5	0.000	-0.739	-0.435

	C1	H2	H3	O4	O5
C1		1.0866	1.0866	1.3769	1.3769
H2	1.0866		1.8469	2.0993	2.0993
H3	1.0866	1.8469		2.0993	2.0993
O4	1.3769	2.0993	2.0993		1.4780
O5	1.3769	2.0993	2.0993	1.4780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	57.540	C1	O5	O4	57.540
H2	C1	H3	116.394	H2	C1	O4	116.402
H2	C1	O5	116.402	H3	C1	O4	116.402
H3	C1	O5	116.402	O4	C1	O5	64.920

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: CCSD/aug-cc-pVTZ

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: CCSD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)