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	hartrees
Energy at 0K	-189.225285
Energy at 298.15K	-189.228155
HF Energy	-188.620709
Nuclear repulsion energy	73.156962

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3134	2960	24.87
2	A₁	1570	1483	2.84
3	A₁	1309	1236	30.81
4	A₁	789	746	1.73
5	A₂	1036	978	0.00
6	B₁	3241	3061	25.61
7	B₁	1199	1132	7.24
8	B₂	1287	1216	0.83
9	B₂	962	908	22.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.727
H2	0.925	0.000	1.303
H3	-0.925	0.000	1.303
O4	0.000	0.743	-0.436
O5	0.000	-0.743	-0.436

	C1	H2	H3	O4	O5
C1		1.0892	1.0892	1.3798	1.3798
H2	1.0892		1.8496	2.1044	2.1044
H3	1.0892	1.8496		2.1044	2.1044
O4	1.3798	2.1044	2.1044		1.4859
O5	1.3798	2.1044	2.1044	1.4859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	57.422	C1	O5	O4	57.422
H2	C1	H3	116.225	H2	C1	O4	116.432
H2	C1	O5	116.432	H3	C1	O4	116.432
H3	C1	O5	116.432	O4	C1	O5	65.156

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: MP2/6-31G(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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)