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	hartrees
Energy at 0K	-186.316806
Energy at 298.15K	-186.319644
HF Energy	-186.153764
Nuclear repulsion energy	71.140540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3365	2991	1.16
2	A₁	1676	1489	0.27
3	A₁	1394	1239	0.02
4	A₁	1038	923	0.03
5	A₂	1032	917	0.00
6	B₁	3520	3129	4.99
7	B₁	1168	1038	10.31
8	B₂	1248	1109	3.39
9	B₂	993	883	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.789
H2	0.939	0.000	1.385
H3	-0.939	0.000	1.385
O4	0.000	0.745	-0.469
O5	0.000	-0.745	-0.469

	C1	H2	H3	O4	O5
C1		1.1120	1.1120	1.4623	1.4623
H2	1.1120		1.8773	2.2080	2.2080
H3	1.1120	1.8773		2.2080	2.2080
O4	1.4623	2.2080	2.2080		1.4895
O5	1.4623	2.2080	2.2080	1.4895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	59.382	C1	O5	O4	59.382
H2	C1	H3	115.159	H2	C1	O4	117.476
H2	C1	O5	117.476	H3	C1	O4	117.476
H3	C1	O5	117.476	O4	C1	O5	61.235

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: MP2=FULL/STO-3G

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: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)