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	hartrees
Energy at 0K	-189.390653
Energy at 298.15K	-189.393544
HF Energy	-188.682689
Nuclear repulsion energy	73.836222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3132	2978	30.27
2	A₁	1593	1515	2.57
3	A₁	1346	1280	44.54
4	A₁	817	777	1.11
5	A₂	1070	1017	0.00
6	B₁	3206	3049	18.28
7	B₁	1205	1146	7.91
8	B₂	1306	1242	2.93
9	B₂	947	901	25.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.725
H2	0.921	0.000	1.294
H3	-0.921	0.000	1.294
O4	0.000	0.737	-0.433
O5	0.000	-0.737	-0.433

	C1	H2	H3	O4	O5
C1		1.0829	1.0829	1.3728	1.3728
H2	1.0829		1.8422	2.0920	2.0920
H3	1.0829	1.8422		2.0920	2.0920
O4	1.3728	2.0920	2.0920		1.4747
O5	1.3728	2.0920	2.0920	1.4747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	57.513	C1	O5	O4	57.513
H2	C1	H3	116.538	H2	C1	O4	116.336
H2	C1	O5	116.336	H3	C1	O4	116.336
H3	C1	O5	116.336	O4	C1	O5	64.973

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: CCSD=FULL/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: CCSD=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)