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	hartrees
Energy at 0K	-188.605612
Energy at 298.15K
HF Energy	-188.605612
Nuclear repulsion energy	75.145970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3303	2968	32.24
2	A₁	1715	1541	17.75
3	A₁	1486	1335	62.92
4	A₁	950	854	2.31
5	A₂	1153	1036	0.00
6	B₁	3403	3058	41.71
7	B₁	1299	1168	14.59
8	B₂	1402	1259	1.53
9	B₂	998	896	29.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.719
H2	0.915	0.000	1.287
H3	-0.915	0.000	1.287
O4	0.000	0.723	-0.431
O5	0.000	-0.723	-0.431

	C1	H2	H3	O4	O5
C1		1.0768	1.0768	1.3584	1.3584
H2	1.0768		1.8301	2.0761	2.0761
H3	1.0768	1.8301		2.0761	2.0761
O4	1.3584	2.0761	2.0761		1.4469
O5	1.3584	2.0761	2.0761	1.4469

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	57.820	C1	O5	O4	57.820
H2	C1	H3	116.374	H2	C1	O4	116.498
H2	C1	O5	116.498	H3	C1	O4	116.498
H3	C1	O5	116.498	O4	C1	O5	64.360

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: HF/6-31G*

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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Number	Element	Mulliken
1	C	0.258
2	H	0.184
3	H	0.184
4	O	-0.313
5	O	-0.313

	x	y	z	Total
	0.000	0.000	2.975	2.975
CHELPG
AIM
ESP

	x	y	z
x	1.952	0.000	-0.015
y	0.000	2.464	0.000
z	-0.015	0.000	2.667

<r²>	29.763
(<r²>)^1/2	5.456

All results from a given calculation for CH2O2 (Dioxirane)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)