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	hartrees
Energy at 0K	-189.239044
Energy at 298.15K	-189.241920
HF Energy	-188.621991
Nuclear repulsion energy	73.496839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3122	2958	27.02
2	A₁	1582	1498	4.93
3	A₁	1337	1267	38.15
4	A₁	797	755	1.59
5	A₂	1049	994	0.00
6	B₁	3217	3048	28.78
7	B₁	1208	1144	8.26
8	B₂	1293	1225	2.31
9	B₂	947	897	18.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.726
H2	0.925	0.000	1.303
H3	-0.925	0.000	1.303
O4	0.000	0.739	-0.435
O5	0.000	-0.739	-0.435

	C1	H2	H3	O4	O5
C1		1.0898	1.0898	1.3769	1.3769
H2	1.0898		1.8493	2.1032	2.1032
H3	1.0898	1.8493		2.1032	2.1032
O4	1.3769	2.1032	2.1032		1.4787
O5	1.3769	2.1032	2.1032	1.4787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	57.523	C1	O5	O4	57.523
H2	C1	H3	116.095	H2	C1	O4	116.516
H2	C1	O5	116.516	H3	C1	O4	116.516
H3	C1	O5	116.516	O4	C1	O5	64.953

All results from a given calculation for CH₂O₂ (Dioxirane)

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

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)