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	hartrees
Energy at 0K	-189.119288
Energy at 298.15K	-189.122152
HF Energy	-188.601109
Nuclear repulsion energy	72.905845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3121	2964	26.62
2	A₁	1603	1522	6.80
3	A₁	1335	1268	35.61
4	A₁	787	747	1.59
5	A₂	1047	994	0.00
6	B₁	3215	3053	38.69
7	B₁	1212	1151	8.71
8	B₂	1285	1221	1.58
9	B₂	946	899	17.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.729
H2	0.927	0.000	1.308
H3	-0.927	0.000	1.308
O4	0.000	0.747	-0.437
O5	0.000	-0.747	-0.437

	C1	H2	H3	O4	O5
C1		1.0929	1.0929	1.3842	1.3842
H2	1.0929		1.8531	2.1122	2.1122
H3	1.0929	1.8531		2.1122	2.1122
O4	1.3842	2.1122	2.1122		1.4932
O5	1.3842	2.1122	2.1122	1.4932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	57.358	C1	O5	O4	57.358
H2	C1	H3	115.949	H2	C1	O4	116.522
H2	C1	O5	116.522	H3	C1	O4	116.522
H3	C1	O5	116.522	O4	C1	O5	65.283

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: CCSD=FULL/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)