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	hartrees
Energy at 0K	-189.176840
Energy at 298.15K	-189.179683
HF Energy	-188.628471
Nuclear repulsion energy	72.193441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3126	2998	31.21
2	A₁	1533	1471	1.03
3	A₁	1262	1211	35.74
4	A₁	752	721	1.09
5	A₂	1020	978	0.00
6	B₁	3242	3109	18.59
7	B₁	1165	1117	6.57
8	B₂	1274	1222	0.69
9	B₂	928	890	31.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.736
H2	0.937	0.000	1.305
H3	-0.937	0.000	1.305
O4	0.000	0.770	-0.439
O5	0.000	-0.770	-0.439

	C1	H2	H3	O4	O5
C1		1.0963	1.0963	1.4051	1.4051
H2	1.0963		1.8749	2.1242	2.1242
H3	1.0963	1.8749		2.1242	2.1242
O4	1.4051	2.1242	2.1242		1.5399
O5	1.4051	2.1242	2.1242	1.5399

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	56.772	C1	O5	O4	56.772
H2	C1	H3	117.546	H2	C1	O4	115.700
H2	C1	O5	115.700	H3	C1	O4	115.700
H3	C1	O5	115.700	O4	C1	O5	66.457

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: MP2/aug-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: MP2/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)