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	hartrees
Energy at 0K	-189.694767
Energy at 298.15K
HF Energy	-189.211209
Nuclear repulsion energy	74.914134

Atom	x (Å)	y (Å)	z (Å)
C1	0.998	-0.488	0.000
O2	0.000	0.571	0.000
O3	-1.210	0.063	0.000
H4	1.953	0.029	0.000
H5	0.869	-1.087	0.897
H6	0.869	-1.087	-0.897

	C1	O2	O3	H4	H5	H6
C1		1.4556	2.2759	1.0854	1.0857	1.0857
O2	1.4556		1.3125	2.0267	2.0756	2.0756
O3	2.2759	1.3125		3.1629	2.5393	2.5393
H4	1.0854	2.0267	3.1629		1.7948	1.7948
H5	1.0857	2.0756	2.5393	1.7948		1.7931
H6	1.0857	2.0756	2.5393	1.7948	1.7931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	110.502	O2	C1	H4	104.871
O2	C1	H5	108.650	O2	C1	H6	108.650
H4	C1	H5	111.522	H4	C1	H6	111.522
H5	C1	H6	111.344

All results from a given calculation for CH₃OO (methylperoxy radical)

using model chemistry: MP2/6-31+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 CH3OO (methylperoxy radical)

using model chemistry: MP2/6-31+G**

States and conformations

All results from a given calculation for CH₃OO (methylperoxy radical)