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	hartrees
Energy at 0K	-228.898022
Energy at 298.15K
HF Energy	-228.249962
Nuclear repulsion energy	124.290544

Atom	x (Å)	y (Å)	z (Å)
C1	1.497	0.897	0.000
C2	0.000	0.669	0.000
O3	-0.212	-0.760	0.000
O4	-1.492	-1.045	0.000
H5	1.704	1.965	0.000
H6	1.952	0.456	0.884
H7	1.952	0.456	-0.884
H8	-0.477	1.085	-0.886
H9	-0.477	1.085	0.886

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5146	2.3811	3.5654	1.0879	1.0876	1.0876	2.1721	2.1721
C2	1.5146		1.4444	2.2727	2.1415	2.1534	2.1534	1.0887	1.0887
O3	2.3811	1.4444		1.3114	3.3319	2.6351	2.6351	2.0633	2.0633
O4	3.5654	2.2727	1.3114		4.3913	3.8598	3.8598	2.5204	2.5204
H5	1.0879	2.1415	3.3319	4.3913		1.7668	1.7668	2.5138	2.5138
H6	1.0876	2.1534	2.6351	3.8598	1.7668		1.7673	3.0705	2.5093
H7	1.0876	2.1534	2.6351	3.8598	1.7668	1.7673		2.5093	3.0705
H8	2.1721	1.0887	2.0633	2.5204	2.5138	3.0705	2.5093		1.7719
H9	2.1721	1.0887	2.0633	2.5204	2.5138	2.5093	3.0705	1.7719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.136	C1	C2	H8	112.056
C1	C2	H9	112.056	C2	C1	H5	109.655
C2	C1	H6	110.619	C2	C1	H7	110.619
C2	O3	O4	111.025	O3	C2	H8	108.261
O3	C2	H9	108.261	H5	C1	H6	108.608
H5	C1	H7	108.608	H6	C1	H7	108.680
H8	C2	H9	108.922

All results from a given calculation for C₂H₅OO (ethylperoxy 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 C2H5OO (ethylperoxy radical)

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

States and conformations

All results from a given calculation for C₂H₅OO (ethylperoxy radical)