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	hartrees
Energy at 0K	-189.363541
Energy at 298.15K	-189.366423
HF Energy	-188.678055
Nuclear repulsion energy	73.393185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3143	2984	30.43
2	A₁	1583	1503	1.98
3	A₁	1311	1245	34.62
4	A₁	805	765	1.44
5	A₂	1047	994	0.00
6	B₁	3233	3069	23.67
7	B₁	1203	1142	7.47
8	B₂	1299	1233	1.00
9	B₂	956	908	26.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.726
H2	0.919	0.000	1.296
H3	-0.919	0.000	1.296
O4	0.000	0.742	-0.434
O5	0.000	-0.742	-0.434

	C1	H2	H3	O4	O5
C1		1.0816	1.0816	1.3772	1.3772
H2	1.0816		1.8385	2.0950	2.0950
H3	1.0816	1.8385		2.0950	2.0950
O4	1.3772	2.0950	2.0950		1.4843
O5	1.3772	2.0950	2.0950	1.4843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	57.391	C1	O5	O4	57.391
H2	C1	H3	116.402	H2	C1	O4	116.352
H2	C1	O5	116.352	H3	C1	O4	116.352
H3	C1	O5	116.352	O4	C1	O5	65.217

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)