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	hartrees
Energy at 0K	-189.345129
Energy at 298.15K	-189.348006
HF Energy	-188.681622
Nuclear repulsion energy	73.479795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3108	2991	31.07
2	A₁	1572	1513	2.59
3	A₁	1328	1278	43.99
4	A₁	806	776	1.12
5	A₂	1051	1012	0.00
6	B₁	3204	3083	19.00
7	B₁	1191	1146	7.72
8	B₂	1291	1242	3.11
9	B₂	930	895	25.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.727
H2	0.924	0.000	1.300
H3	-0.924	0.000	1.300
O4	0.000	0.740	-0.435
O5	0.000	-0.740	-0.435

	C1	H2	H3	O4	O5
C1		1.0869	1.0869	1.3778	1.3778
H2	1.0869		1.8474	2.1002	2.1002
H3	1.0869	1.8474		2.1002	2.1002
O4	1.3778	2.1002	2.1002		1.4793
O5	1.3778	2.1002	2.1002	1.4793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	57.530	C1	O5	O4	57.530
H2	C1	H3	116.397	H2	C1	O4	116.397
H2	C1	O5	116.397	H3	C1	O4	116.397
H3	C1	O5	116.397	O4	C1	O5	64.940

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: QCISD/aug-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: QCISD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)