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	hartrees
Energy at 0K	-189.246581
Energy at 298.15K	-189.249455
HF Energy	-188.621160
Nuclear repulsion energy	73.286703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3143	2955	25.08
2	A₁	1574	1479	2.80
3	A₁	1317	1237	31.12
4	A₁	789	742	1.68
5	A₂	1043	980	0.00
6	B₁	3249	3054	25.58
7	B₁	1204	1132	7.21
8	B₂	1288	1211	0.84
9	B₂	968	910	22.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.726
H2	0.923	0.000	1.300
H3	-0.923	0.000	1.300
O4	0.000	0.742	-0.435
O5	0.000	-0.742	-0.435

	C1	H2	H3	O4	O5
C1		1.0874	1.0874	1.3777	1.3777
H2	1.0874		1.8465	2.1009	2.1009
H3	1.0874	1.8465		2.1009	2.1009
O4	1.3777	2.1009	2.1009		1.4848
O5	1.3777	2.1009	2.1009	1.4848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	57.392	C1	O5	O4	57.392
H2	C1	H3	116.214	H2	C1	O4	116.427
H2	C1	O5	116.427	H3	C1	O4	116.427
H3	C1	O5	116.427	O4	C1	O5	65.216

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)