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	hartrees
Energy at 0K	-187.877891
Energy at 298.15K	-187.880716
Nuclear repulsion energy	70.289509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3199	3011	6.97
2	A₁	1638	1542	1.88
3	A₁	1215	1144	6.94
4	A₁	815	767	1.23
5	A₂	1027	967	0.00
6	B₁	3301	3107	28.59
7	B₁	1190	1120	6.80
8	B₂	1266	1192	6.70
9	B₂	797	750	5.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.772
H2	0.923	0.000	1.335
H3	-0.923	0.000	1.335
O4	0.000	0.788	-0.456
O5	0.000	-0.788	-0.456

	C1	H2	H3	O4	O5
C1		1.0810	1.0810	1.4593	1.4593
H2	1.0810		1.8450	2.1639	2.1639
H3	1.0810	1.8450		2.1639	2.1639
O4	1.4593	2.1639	2.1639		1.5759
O5	1.4593	2.1639	2.1639	1.5759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	57.321	C1	O5	O4	57.321
H2	C1	H3	117.167	H2	C1	O4	116.024
H2	C1	O5	116.024	H3	C1	O4	116.024
H3	C1	O5	116.024	O4	C1	O5	65.358

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: CISD/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: CISD/3-21G

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)