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	hartrees
Energy at 0K	-228.869361
Energy at 298.15K	-228.875413
HF Energy	-228.241819
Nuclear repulsion energy	124.216019

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3203	3005	14.63
2	A'	3137	2944	13.70
3	A'	3119	2927	8.71
4	A'	1575	1478	3.45
5	A'	1559	1463	3.31
6	A'	1485	1393	19.56
7	A'	1433	1345	6.21
8	A'	1233	1157	109.31
9	A'	1192	1119	15.74
10	A'	1087	1020	12.51
11	A'	905	849	2.79
12	A'	527	495	9.51
13	A'	320	301	1.08
14	A"	3213	3014	28.60
15	A"	3190	2993	4.53
16	A"	1546	1451	6.67
17	A"	1321	1240	0.06
18	A"	1208	1134	4.89
19	A"	834	783	0.85
20	A"	245	230	0.48
21	A"	85	80	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	1.498	0.894	0.000
C2	0.000	0.670	0.000
O3	-0.214	-0.759	0.000
O4	-1.493	-1.043	0.000
H5	1.710	1.967	0.000
H6	1.955	0.449	0.888
H7	1.955	0.449	-0.888
H8	-0.480	1.086	-0.890
H9	-0.480	1.086	0.890

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5152	2.3798	3.5639	1.0934	1.0929	1.0929	2.1777	2.1777
C2	1.5152		1.4444	2.2722	2.1466	2.1582	2.1582	1.0935	1.0935
O3	2.3798	1.4444		1.3106	3.3363	2.6361	2.6361	2.0654	2.0654
O4	3.5639	2.2722	1.3106		4.3957	3.8603	3.8603	2.5203	2.5203
H5	1.0934	2.1466	3.3363	4.3957		1.7753	1.7753	2.5230	2.5230
H6	1.0929	2.1582	2.6361	3.8603	1.7753		1.7756	3.0812	2.5163
H7	1.0929	2.1582	2.6361	3.8603	1.7753	1.7756		2.5163	3.0812
H8	2.1777	1.0935	2.0654	2.5203	2.5230	3.0812	2.5163		1.7806
H9	2.1777	1.0935	2.0654	2.5203	2.5230	2.5163	3.0812	1.7806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.022	C1	C2	H8	112.177
C1	C2	H9	112.177	C2	C1	H5	109.695
C2	C1	H6	110.646	C2	C1	H7	110.646
C2	O3	O4	111.037	O3	C2	H8	108.144
O3	C2	H9	108.144	H5	C1	H6	108.577
H5	C1	H7	108.577	H6	C1	H7	108.644
H8	C2	H9	109.006

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

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