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	hartrees
Energy at 0K	-302.742823
Energy at 298.15K
HF Energy	-301.955083
Nuclear repulsion energy	171.499264

Atom	x (Å)	y (Å)	z (Å)
C1	1.413	0.148	0.000
C2	0.000	0.521	0.000
O3	-0.373	1.667	0.000
O4	-0.974	-0.475	0.000
O5	-0.371	-1.714	0.000
H6	1.998	1.056	0.000
H7	1.633	-0.446	0.881
H8	1.633	-0.446	-0.881

	C1	C2	O3	O4	O5	H6	H7	H8
C1		1.4618	2.3454	2.4674	2.5788	1.0800	1.0848	1.0848
C2	1.4618		1.2059	1.3930	2.2653	2.0688	2.0923	2.0923
O3	2.3454	1.2059		2.2252	3.3814	2.4491	3.0441	3.0441
O4	2.4674	1.3930	2.2252		1.3780	3.3435	2.7524	2.7524
O5	2.5788	2.2653	3.3814	1.3780		3.6449	2.5302	2.5302
H6	1.0800	2.0688	2.4491	3.3435	3.6449		1.7787	1.7787
H7	1.0848	2.0923	3.0441	2.7524	2.5302	1.7787		1.7623
H8	1.0848	2.0923	3.0441	2.7524	2.5302	1.7787	1.7623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.803	C1	C2	O4	119.589
C2	C1	H6	108.013	C2	C1	H7	109.601
C2	C1	H8	109.601	C2	O4	O5	109.672
O3	C2	O4	117.608	H6	C1	H7	110.492
H6	C1	H8	110.492	H7	C1	H8	108.632

All results from a given calculation for CH₃C(O)OO (acetyl peroxy radical)

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 CH3C(O)OO (acetyl peroxy radical)

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

States and conformations

All results from a given calculation for CH₃C(O)OO (acetyl peroxy radical)