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	hartrees
Energy at 0K	-228.554928
Energy at 298.15K	-228.560805
HF Energy	-228.144596
Nuclear repulsion energy	120.473862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3164	3164
2	A'	3105	3105
3	A'	3079	3079
4	A'	1582	1582
5	A'	1571	1571
6	A'	1493	1493
7	A'	1428	1428
8	A'	1167	1167
9	A'	1045	1045
10	A'	914	914
11	A'	812	812
12	A'	482	482
13	A'	297	297
14	A"	3186	3186
15	A"	3164	3164
16	A"	1560	1560
17	A"	1319	1319
18	A"	1189	1189
19	A"	849	849
20	A"	232	232
21	A"	70	70

Atom	x (Å)	y (Å)	z (Å)
C1	1.507	0.950	0.000
C2	0.000	0.712	0.000
O3	-0.177	-0.787	0.000
O4	-1.535	-1.116	0.000
H5	1.711	2.029	0.000
H6	1.968	0.507	0.891
H7	1.968	0.507	-0.891
H8	-0.495	1.102	-0.896
H9	-0.495	1.102	0.896

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5259	2.4192	3.6776	1.0986	1.0964	1.0964	2.1989	2.1989
C2	1.5259		1.5090	2.3870	2.1595	2.1697	2.1697	1.0957	1.0957
O3	2.4192	1.5090		1.3977	3.3904	2.6585	2.6585	2.1146	2.1146
O4	3.6776	2.3870	1.3977		4.5201	3.9622	3.9622	2.6085	2.6085
H5	1.0986	2.1595	3.3904	4.5201		1.7825	1.7825	2.5553	2.5553
H6	1.0964	2.1697	2.6585	3.9622	1.7825		1.7821	3.1005	2.5335
H7	1.0964	2.1697	2.6585	3.9622	1.7825	1.7821		2.5335	3.1005
H8	2.1989	1.0957	2.1146	2.6085	2.5553	3.1005	2.5335		1.7926
H9	2.1989	1.0957	2.1146	2.6085	2.5553	2.5335	3.1005	1.7926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.709	C1	C2	H8	112.995
C1	C2	H9	112.995	C2	C1	H5	109.666
C2	C1	H6	110.599	C2	C1	H7	110.599
C2	O3	O4	110.350	O3	C2	H8	107.494
O3	C2	H9	107.494	H5	C1	H6	108.603
H5	C1	H7	108.603	H6	C1	H7	108.717
H8	C2	H9	109.778

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

using model chemistry: ROMP2/6-31G

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: ROMP2/6-31G

States and conformations

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