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	hartrees
Energy at 0K	-189.128050
Energy at 298.15K	-189.130913
HF Energy	-188.604323
Nuclear repulsion energy	72.850331

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3150	2966	31.11
2	A₁	1614	1519	8.94
3	A₁	1327	1249	35.10
4	A₁	779	734	1.72
5	A₂	1044	983	0.00
6	B₁	3247	3057	42.56
7	B₁	1213	1142	9.86
8	B₂	1292	1216	0.89
9	B₂	936	881	17.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.730
H2	0.922	0.000	1.306
H3	-0.922	0.000	1.306
O4	0.000	0.761	-0.437
O5	0.000	-0.761	-0.437

	C1	H2	H3	O4	O5
C1		1.0869	1.0869	1.3931	1.3931
H2	1.0869		1.8434	2.1133	2.1133
H3	1.0869	1.8434		2.1133	2.1133
O4	1.3931	2.1133	2.1133		1.5227
O5	1.3931	2.1133	2.1133	1.5227

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	56.871	C1	O5	O4	56.871
H2	C1	H3	115.990	H2	C1	O4	116.349
H2	C1	O5	116.349	H3	C1	O4	116.349
H3	C1	O5	116.349	O4	C1	O5	66.258

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: QCISD/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: QCISD/6-31G**

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)