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	hartrees
Energy at 0K	-229.188939
Energy at 298.15K
HF Energy	-228.330664
Nuclear repulsion energy	123.953236

Atom	x (Å)	y (Å)	z (Å)
C1	1.495	0.905	0.000
C2	0.000	0.672	0.000
O3	-0.204	-0.767	0.000
O4	-1.497	-1.047	0.000
H5	1.699	1.977	0.000
H6	1.955	0.466	0.886
H7	1.955	0.466	-0.886
H8	-0.487	1.072	-0.890
H9	-0.487	1.072	0.890

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5132	2.3839	3.5725	1.0910	1.0905	1.0905	2.1794	2.1794
C2	1.5132		1.4533	2.2792	2.1428	2.1559	2.1559	1.0908	1.0908
O3	2.3839	1.4533		1.3229	3.3395	2.6388	2.6388	2.0629	2.0629
O4	3.5725	2.2792	1.3229		4.4001	3.8711	3.8711	2.5104	2.5104
H5	1.0910	2.1428	3.3395	4.4001		1.7703	1.7703	2.5284	2.5284
H6	1.0905	2.1559	2.6388	3.8711	1.7703		1.7715	3.0798	2.5164
H7	1.0905	2.1559	2.6388	3.8711	1.7703	1.7715		2.5164	3.0798
H8	2.1794	1.0908	2.0629	2.5104	2.5284	3.0798	2.5164		1.7798
H9	2.1794	1.0908	2.0629	2.5104	2.5284	2.5164	3.0798	1.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.938	C1	C2	H8	112.635
C1	C2	H9	112.635	C2	C1	H5	109.675
C2	C1	H6	110.749	C2	C1	H7	110.749
C2	O3	O4	110.279	O3	C2	H8	107.503
O3	C2	H9	107.503	H5	C1	H6	108.487
H5	C1	H7	108.487	H6	C1	H7	108.628
H8	C2	H9	109.341

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

using model chemistry: CCSD(T)/cc-pVTZ

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: CCSD(T)/cc-pVTZ

States and conformations

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