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	hartrees
Energy at 0K	-189.109472
Energy at 298.15K	-189.112361
HF Energy	-188.602422
Nuclear repulsion energy	73.251724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3154	2959	22.41
2	A₁	1612	1512	5.78
3	A₁	1357	1274	33.80
4	A₁	828	777	1.59
5	A₂	1063	997	0.00
6	B₁	3253	3052	33.76
7	B₁	1218	1143	9.02
8	B₂	1300	1220	0.79
9	B₂	976	915	21.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.729
H2	0.925	0.000	1.307
H3	-0.925	0.000	1.307
O4	0.000	0.743	-0.437
O5	0.000	-0.743	-0.437

	C1	H2	H3	O4	O5
C1		1.0908	1.0908	1.3826	1.3826
H2	1.0908		1.8504	2.1094	2.1094
H3	1.0908	1.8504		2.1094	2.1094
O4	1.3826	2.1094	2.1094		1.4851
O5	1.3826	2.1094	2.1094	1.4851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	57.516	C1	O5	O4	57.516
H2	C1	H3	116.027	H2	C1	O4	116.541
H2	C1	O5	116.541	H3	C1	O4	116.541
H3	C1	O5	116.541	O4	C1	O5	64.967

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)