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	hartrees
Energy at 0K	-188.875584
Energy at 298.15K	-188.878294
HF Energy	-188.494418
Nuclear repulsion energy	69.169738

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3113	3000	9.84
2	A₁	1575	1517	1.41
3	A₁	1127	1086	13.20
4	A₁	632	609	0.69
5	A₂	1003	966	0.00
6	B₁	3217	3100	30.94
7	B₁	1155	1113	6.84
8	B₂	1251	1206	4.32
9	B₂	758	731	7.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.759
H2	0.930	0.000	1.329
H3	-0.930	0.000	1.329
O4	0.000	0.824	-0.451
O5	0.000	-0.824	-0.451

	C1	H2	H3	O4	O5
C1		1.0911	1.0911	1.4633	1.4633
H2	1.0911		1.8607	2.1704	2.1704
H3	1.0911	1.8607		2.1704	2.1704
O4	1.4633	2.1704	2.1704		1.6483
O5	1.4633	2.1704	2.1704	1.6483

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	55.722	C1	O5	O4	55.722
H2	C1	H3	116.998	H2	C1	O4	115.579
H2	C1	O5	115.579	H3	C1	O4	115.579
H3	C1	O5	115.579	O4	C1	O5	68.556

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: QCISD/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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All results from a given calculation for CH2O2 (Dioxirane)

using model chemistry: QCISD/6-31G

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)