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	hartrees
Energy at 0K	-188.897037
Energy at 298.15K	-188.899786
HF Energy	-188.536805
Nuclear repulsion energy	68.702155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3134	3018	30.15
2	A₁	1536	1479	0.38
3	A₁	1101	1060	8.54
4	A₁	681	656	0.46
5	A₂	964	929	0.00
6	B₁	3268	3147	30.02
7	B₁	1130	1089	4.16
8	B₂	1251	1204	0.28
9	B₂	852	820	35.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.778
H2	0.939	0.000	1.339
H3	-0.939	0.000	1.339
O4	0.000	0.820	-0.459
O5	0.000	-0.820	-0.459

	C1	H2	H3	O4	O5
C1		1.0935	1.0935	1.4846	1.4846
H2	1.0935		1.8784	2.1878	2.1878
H3	1.0935	1.8784		2.1878	2.1878
O4	1.4846	2.1878	2.1878		1.6398
O5	1.4846	2.1878	2.1878	1.6398

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	56.477	C1	O5	O4	56.477
H2	C1	H3	118.374	H2	C1	O4	115.280
H2	C1	O5	115.280	H3	C1	O4	115.280
H3	C1	O5	115.280	O4	C1	O5	67.045

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)