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	hartrees
Energy at 0K	-189.211155
Energy at 298.15K	-189.214026
HF Energy	-188.652264
Nuclear repulsion energy	73.409037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3112	2969	32.36
2	A₁	1587	1514	5.94
3	A₁	1339	1278	41.87
4	A₁	778	742	1.03
5	A₂	1055	1006	0.00
6	B₁	3205	3058	37.99
7	B₁	1208	1153	12.84
8	B₂	1294	1234	1.06
9	B₂	940	896	21.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.727
H2	0.927	0.000	1.301
H3	-0.927	0.000	1.301
O4	0.000	0.751	-0.435
O5	0.000	-0.751	-0.435

	C1	H2	H3	O4	O5
C1		1.0904	1.0904	1.3840	1.3840
H2	1.0904		1.8547	2.1066	2.1066
H3	1.0904	1.8547		2.1066	2.1066
O4	1.3840	2.1066	2.1066		1.5015
O5	1.3840	2.1066	2.1066	1.5015

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	57.148	C1	O5	O4	57.148
H2	C1	H3	116.532	H2	C1	O4	116.222
H2	C1	O5	116.222	H3	C1	O4	116.222
H3	C1	O5	116.222	O4	C1	O5	65.704

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: QCISD/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)