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	hartrees
Energy at 0K	-189.238071
Energy at 298.15K	-189.240938
HF Energy	-188.647429
Nuclear repulsion energy	73.203601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3135	2969	31.24
2	A₁	1590	1506	3.13
3	A₁	1317	1248	35.59
4	A₁	775	734	1.35
5	A₂	1046	991	0.00
6	B₁	3245	3073	34.99
7	B₁	1210	1146	9.57
8	B₂	1290	1222	0.43
9	B₂	958	908	28.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.728
H2	0.928	0.000	1.296
H3	-0.928	0.000	1.296
O4	0.000	0.756	-0.435
O5	0.000	-0.756	-0.435

	C1	H2	H3	O4	O5
C1		1.0881	1.0881	1.3870	1.3870
H2	1.0881		1.8569	2.1042	2.1042
H3	1.0881	1.8569		2.1042	2.1042
O4	1.3870	2.1042	2.1042		1.5113
O5	1.3870	2.1042	2.1042	1.5113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	56.988	C1	O5	O4	56.988
H2	C1	H3	117.136	H2	C1	O4	115.931
H2	C1	O5	115.931	H3	C1	O4	115.931
H3	C1	O5	115.931	O4	C1	O5	66.025

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)