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	hartrees
Energy at 0K	-189.146639
Energy at 298.15K	-189.149499
HF Energy	-188.616000
Nuclear repulsion energy	72.975277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3106	2980	33.46
2	A₁	1564	1500	8.99
3	A₁	1327	1273	39.67
4	A₁	768	737	1.52
5	A₂	1034	992	0.00
6	B₁	3200	3070	44.79
7	B₁	1190	1142	11.64
8	B₂	1280	1228	0.92
9	B₂	937	899	19.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.727
H2	0.932	0.000	1.313
H3	-0.932	0.000	1.313
O4	0.000	0.757	-0.437
O5	0.000	-0.757	-0.437

	C1	H2	H3	O4	O5
C1		1.1008	1.1008	1.3886	1.3886
H2	1.1008		1.8643	2.1220	2.1220
H3	1.1008	1.8643		2.1220	2.1220
O4	1.3886	2.1220	2.1220		1.5147
O5	1.3886	2.1220	2.1220	1.5147

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	56.948	C1	O5	O4	56.948
H2	C1	H3	115.730	H2	C1	O4	116.477
H2	C1	O5	116.477	H3	C1	O4	116.477
H3	C1	O5	116.477	O4	C1	O5	66.104

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)