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	hartrees
Energy at 0K	-189.328338
Energy at 298.15K	-189.331226
HF Energy	-188.678993
Nuclear repulsion energy	73.639978

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3112	2929	31.82
2	A₁	1582	1489	4.01
3	A₁	1344	1265	41.87
4	A₁	819	771	1.31
5	A₂	1056	994	0.00
6	B₁	3208	3019	26.57
7	B₁	1202	1131	8.84
8	B₂	1297	1221	2.44
9	B₂	947	892	22.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.726
H2	0.922	0.000	1.300
H3	-0.922	0.000	1.300
O4	0.000	0.739	-0.435
O5	0.000	-0.739	-0.435

	C1	H2	H3	O4	O5
C1		1.0861	1.0861	1.3759	1.3759
H2	1.0861		1.8444	2.0987	2.0987
H3	1.0861	1.8444		2.0987	2.0987
O4	1.3759	2.0987	2.0987		1.4773
O5	1.3759	2.0987	2.0987	1.4773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	57.532	C1	O5	O4	57.532
H2	C1	H3	116.228	H2	C1	O4	116.466
H2	C1	O5	116.466	H3	C1	O4	116.466
H3	C1	O5	116.466	O4	C1	O5	64.936

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: CCSD/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/cc-pVTZ

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)