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	hartrees
Energy at 0K	-187.915328
Energy at 298.15K	-187.918084
HF Energy	-187.545248
Nuclear repulsion energy	69.363752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3114	2993	9.50
2	A₁	1607	1544	2.35
3	A₁	1139	1095	3.73
4	A₁	733	705	0.97
5	A₂	984	946	0.00
6	B₁	3210	3085	34.36
7	B₁	1161	1116	5.37
8	B₂	1226	1178	5.44
9	B₂	757	727	3.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.777
H2	0.927	0.000	1.346
H3	-0.927	0.000	1.346
O4	0.000	0.805	-0.460
O5	0.000	-0.805	-0.460

	C1	H2	H3	O4	O5
C1		1.0877	1.0877	1.4752	1.4752
H2	1.0877		1.8542	2.1832	2.1832
H3	1.0877	1.8542		2.1832	2.1832
O4	1.4752	2.1832	2.1832		1.6090
O5	1.4752	2.1832	2.1832	1.6090

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	56.951	C1	O5	O4	56.951
H2	C1	H3	116.936	H2	C1	O4	115.999
H2	C1	O5	115.999	H3	C1	O4	115.999
H3	C1	O5	115.999	O4	C1	O5	66.097

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)