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	hartrees
Energy at 0K	-187.906017
Energy at 298.15K	-187.908831
HF Energy	-187.547333
Nuclear repulsion energy	69.802178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3132	3045	7.01
2	A₁	1610	1565	1.15
3	A₁	1179	1146	2.29
4	A₁	785	763	0.68
5	A₂	1005	977	0.00
6	B₁	3230	3141	30.83
7	B₁	1166	1134	6.19
8	B₂	1249	1214	2.32
9	B₂	828	805	7.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.777
H2	0.927	0.000	1.344
H3	-0.927	0.000	1.344
O4	0.000	0.794	-0.459
O5	0.000	-0.794	-0.459

	C1	H2	H3	O4	O5
C1		1.0867	1.0867	1.4690	1.4690
H2	1.0867		1.8535	2.1776	2.1776
H3	1.0867	1.8535		2.1776	2.1776
O4	1.4690	2.1776	2.1776		1.5888
O5	1.4690	2.1776	2.1776	1.5888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	57.264	C1	O5	O4	57.264
H2	C1	H3	117.032	H2	C1	O4	116.060
H2	C1	O5	116.060	H3	C1	O4	116.060
H3	C1	O5	116.060	O4	C1	O5	65.472

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: CCD/3-21G

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: CCD/3-21G

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)