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	hartrees
Energy at 0K	-189.136522
Energy at 298.15K	-189.139386
HF Energy	-188.615367
Nuclear repulsion energy	72.812248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3131	2975	31.71
2	A₁	1561	1484	5.74
3	A₁	1310	1245	32.24
4	A₁	774	735	1.96
5	A₂	1029	978	0.00
6	B₁	3237	3077	41.26
7	B₁	1190	1131	10.35
8	B₂	1285	1221	0.06
9	B₂	959	911	25.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.728
H2	0.931	0.000	1.310
H3	-0.931	0.000	1.310
O4	0.000	0.761	-0.437
O5	0.000	-0.761	-0.437

	C1	H2	H3	O4	O5
C1		1.0980	1.0980	1.3915	1.3915
H2	1.0980		1.8622	2.1208	2.1208
H3	1.0980	1.8622		2.1208	2.1208
O4	1.3915	2.1208	2.1208		1.5219
O5	1.3915	2.1208	2.1208	1.5219

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	56.849	C1	O5	O4	56.849
H2	C1	H3	115.999	H2	C1	O4	116.338
H2	C1	O5	116.338	H3	C1	O4	116.338
H3	C1	O5	116.338	O4	C1	O5	66.303

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: MP2=FULL/cc-pVDZ

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-pVDZ

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)