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	hartrees
Energy at 0K	-189.642027
Energy at 298.15K	-189.644898
HF Energy	-189.642027
Nuclear repulsion energy	73.352099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3053	2946	34.33
2	A₁	1557	1502	4.85
3	A₁	1316	1270	39.12
4	A₁	840	810	2.13
5	A₂	1017	981	0.00
6	B₁	3148	3038	39.30
7	B₁	1181	1140	7.97
8	B₂	1252	1208	2.45
9	B₂	926	893	18.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.729
H2	0.927	0.000	1.308
H3	-0.927	0.000	1.308
O4	0.000	0.739	-0.437
O5	0.000	-0.739	-0.437

	C1	H2	H3	O4	O5
C1		1.0929	1.0929	1.3811	1.3811
H2	1.0929		1.8540	2.1101	2.1101
H3	1.0929	1.8540		2.1101	2.1101
O4	1.3811	2.1101	2.1101		1.4783
O5	1.3811	2.1101	2.1101	1.4783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	57.641	C1	O5	O4	57.641
H2	C1	H3	116.028	H2	C1	O4	116.581
H2	C1	O5	116.581	H3	C1	O4	116.581
H3	C1	O5	116.581	O4	C1	O5	64.718

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)