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	hartrees
Energy at 0K	-189.116967
Energy at 298.15K
HF Energy	-188.605900
Nuclear repulsion energy	73.267219

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.729
H2	0.920	0.000	1.306
H3	-0.920	0.000	1.306
O4	0.000	0.743	-0.437
O5	0.000	-0.743	-0.437

	C1	H2	H3	O4	O5
C1		1.0858	1.0858	1.3828	1.3828
H2	1.0858		1.8398	2.1064	2.1064
H3	1.0858	1.8398		2.1064	2.1064
O4	1.3828	2.1064	2.1064		1.4860
O5	1.3828	2.1064	2.1064	1.4860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	57.500	C1	O5	O4	57.500
H2	C1	H3	115.811	H2	C1	O4	116.622
H2	C1	O5	116.622	H3	C1	O4	116.622
H3	C1	O5	116.622	O4	C1	O5	65.000

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)