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	hartrees
Energy at 0K	-187.042308
Energy at 298.15K	-187.045060
Nuclear repulsion energy	69.885754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3131	2897	0.10
2	A₁	1587	1468	0.67
3	A₁	1325	1225	0.58
4	A₁	993	919	0.39
5	A₂	936	866	0.00
6	B₁	3274	3029	12.41
7	B₁	1095	1014	5.20
8	B₂	1140	1055	7.74
9	B₂	910	842	1.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.803
H2	0.945	0.000	1.409
H3	-0.945	0.000	1.409
O4	0.000	0.760	-0.477
O5	0.000	-0.760	-0.477

	C1	H2	H3	O4	O5
C1		1.1227	1.1227	1.4887	1.4887
H2	1.1227		1.8902	2.2423	2.2423
H3	1.1227	1.8902		2.2423	2.2423
O4	1.4887	2.2423	2.2423		1.5205
O5	1.4887	2.2423	2.2423	1.5205

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	59.292	C1	O5	O4	59.292
H2	C1	H3	114.666	H2	C1	O4	117.650
H2	C1	O5	117.650	H3	C1	O4	117.650
H3	C1	O5	117.650	O4	C1	O5	61.416

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: BLYP/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	-0.009
2	H	0.089
3	H	0.089
4	O	-0.084
5	O	-0.084

	x	y	z	Total
	0.000	0.000	1.499	1.499
CHELPG
AIM
ESP

<r²>	31.922
(<r²>)^1/2	5.650

All results from a given calculation for CH2O2 (Dioxirane)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)