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	hartrees
Energy at 0K	-189.588971
Energy at 298.15K	-189.591772
Nuclear repulsion energy	71.956450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2966	2943	37.14
2	A₁	1524	1513	5.87
3	A₁	1249	1240	35.01
4	A₁	759	753	2.40
5	A₂	964	956	0.00
6	B₁	3053	3030	53.11
7	B₁	1151	1142	7.24
8	B₂	1205	1195	1.28
9	B₂	862	855	15.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.738
H2	0.933	0.000	1.324
H3	-0.933	0.000	1.324
O4	0.000	0.771	-0.442
O5	0.000	-0.771	-0.442

	C1	H2	H3	O4	O5
C1		1.1017	1.1017	1.4098	1.4098
H2	1.1017		1.8656	2.1413	2.1413
H3	1.1017	1.8656		2.1413	2.1413
O4	1.4098	2.1413	2.1413		1.5418
O5	1.4098	2.1413	2.1413	1.5418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	56.851	C1	O5	O4	56.851
H2	C1	H3	115.710	H2	C1	O4	116.453
H2	C1	O5	116.453	H3	C1	O4	116.453
H3	C1	O5	116.453	O4	C1	O5	66.299

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: BLYP/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	0.285
2	H	0.107
3	H	0.107
4	O	-0.249
5	O	-0.249

	x	y	z	Total
	0.000	0.000	2.383	2.383
CHELPG
AIM
ESP

<r²>	31.470
(<r²>)^1/2	5.610

All results from a given calculation for CH2O2 (Dioxirane)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)