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	hartrees
Energy at 0K	-186.161425
Energy at 298.15K	-186.164376
Nuclear repulsion energy	73.494155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3582	2924	10.46
2	A₁	1813	1480	0.27
3	A₁	1604	1309	1.31
4	A₁	1276	1042	0.04
5	A₂	1152	940	0.00
6	B₁	3742	3056	0.06
7	B₁	1248	1019	14.96
8	B₂	1373	1121	5.42
9	B₂	1113	909	2.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.774
H2	0.925	0.000	1.358
H3	-0.925	0.000	1.358
O4	0.000	0.709	-0.460
O5	0.000	-0.709	-0.460

	C1	H2	H3	O4	O5
C1		1.0941	1.0941	1.4236	1.4236
H2	1.0941		1.8504	2.1600	2.1600
H3	1.0941	1.8504		2.1600	2.1600
O4	1.4236	2.1600	2.1600		1.4182
O5	1.4236	2.1600	2.1600	1.4182

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	60.125	C1	O5	O4	60.125
H2	C1	H3	115.482	H2	C1	O4	117.569
H2	C1	O5	117.569	H3	C1	O4	117.569
H3	C1	O5	117.569	O4	C1	O5	59.750

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: HF/STO-3G

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	0.060
2	H	0.091
3	H	0.091
4	O	-0.120
5	O	-0.120

	x	y	z	Total
	0.000	0.000	1.925	1.925
CHELPG
AIM
ESP

<r²>	29.985
(<r²>)^1/2	5.476

All results from a given calculation for CH2O2 (Dioxirane)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)