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	hartrees
Energy at 0K	-38.160316
Energy at 298.15K	-38.163092
HF Energy	-37.795724
Nuclear repulsion energy	38.720060

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3082	3008	18.86
2	A₁	1534	1497	0.35
3	A₁	1120	1093	11.72
4	A₁	684	667	0.61
5	A₂	975	952	0.00
6	B₁	3224	3146	29.07
7	B₁	1135	1108	6.60
8	B₂	1260	1230	1.49
9	B₂	866	845	37.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.777
H2	0.940	0.000	1.333
H3	-0.940	0.000	1.333
O4	0.000	0.820	-0.458
O5	0.000	-0.820	-0.458

	C1	H2	H3	O4	O5
C1		1.0921	1.0921	1.4825	1.4825
H2	1.0921		1.8804	2.1824	2.1824
H3	1.0921	1.8804		2.1824	2.1824
O4	1.4825	2.1824	2.1824		1.6410
O5	1.4825	2.1824	2.1824	1.6410

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	56.395	C1	O5	O4	56.395
H2	C1	H3	118.829	H2	C1	O4	115.074
H2	C1	O5	115.074	H3	C1	O4	115.074
H3	C1	O5	115.074	O4	C1	O5	67.209

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: MP2/CEP-121G

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: MP2/CEP-121G

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)