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	hartrees
Energy at 0K	-189.369625
Energy at 298.15K	-189.372521
HF Energy	-188.679642
Nuclear repulsion energy	73.873850

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3135	2972	31.74
2	A₁	1598	1515	3.75
3	A₁	1353	1283	42.39
4	A₁	823	781	1.29
5	A₂	1068	1013	0.00
6	B₁	3212	3046	26.11
7	B₁	1215	1152	8.81
8	B₂	1312	1244	2.46
9	B₂	955	905	22.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.724
H2	0.919	0.000	1.295
H3	-0.919	0.000	1.295
O4	0.000	0.737	-0.433
O5	0.000	-0.737	-0.433

	C1	H2	H3	O4	O5
C1		1.0818	1.0818	1.3725	1.3725
H2	1.0818		1.8376	2.0919	2.0919
H3	1.0818	1.8376		2.0919	2.0919
O4	1.3725	2.0919	2.0919		1.4747
O5	1.3725	2.0919	2.0919	1.4747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	57.505	C1	O5	O4	57.505
H2	C1	H3	116.282	H2	C1	O4	116.436
H2	C1	O5	116.436	H3	C1	O4	116.436
H3	C1	O5	116.436	O4	C1	O5	64.989

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: CCSD=FULL/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=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)