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	hartrees
Energy at 0K	-225.533715
Energy at 298.15K	-225.539540
HF Energy	-225.364726
Nuclear repulsion energy	120.802163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3564	3168	0.76
2	A'	3383	3007	0.86
3	A'	3363	2989	4.47
4	A'	1731	1539	0.85
5	A'	1705	1515	1.47
6	A'	1613	1434	0.59
7	A'	1522	1353	18.33
8	A'	1405	1249	45.68
9	A'	1265	1124	1.56
10	A'	1160	1031	0.20
11	A'	987	877	1.09
12	A'	520	462	1.91
13	A'	307	273	0.30
14	A"	3567	3171	1.20
15	A"	3476	3090	7.17
16	A"	1718	1527	1.36
17	A"	1398	1242	0.01
18	A"	1236	1099	6.51
19	A"	882	784	0.36
20	A"	206	183	0.31
21	A"	82	73	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	1.534	0.933	0.000
C2	0.000	0.669	0.000
O3	-0.198	-0.812	0.000
O4	-1.549	-1.043	0.000
H5	1.728	2.019	0.000
H6	2.000	0.490	0.896
H7	2.000	0.490	-0.896
H8	-0.478	1.115	-0.901
H9	-0.478	1.115	0.901

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5567	2.4586	3.6616	1.1030	1.1028	1.1028	2.2122	2.2122
C2	1.5567		1.4938	2.3082	2.1928	2.1990	2.1990	1.1134	1.1134
O3	2.4586	1.4938		1.3703	3.4237	2.7075	2.7075	2.1458	2.1458
O4	3.6616	2.3082	1.3703		4.4844	3.9684	3.9684	2.5721	2.5721
H5	1.1030	2.1928	3.4237	4.4844		1.7928	1.7928	2.5483	2.5483
H6	1.1028	2.1990	2.7075	3.9684	1.7928		1.7918	3.1244	2.5561
H7	1.1028	2.1990	2.7075	3.9684	1.7928	1.7918		2.5561	3.1244
H8	2.2122	1.1134	2.1458	2.5721	2.5483	3.1244	2.5561		1.8017
H9	2.2122	1.1134	2.1458	2.5721	2.5483	2.5561	3.1244	1.8017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.393	C1	C2	H8	110.798
C1	C2	H9	110.798	C2	C1	H5	109.892
C2	C1	H6	110.392	C2	C1	H7	110.392
C2	O3	O4	107.318	O3	C2	H8	109.924
O3	C2	H9	109.924	H5	C1	H6	108.731
H5	C1	H7	108.731	H6	C1	H7	108.657
H8	C2	H9	108.011

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

using model chemistry: MP2=FULL/STO-3G

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: MP2=FULL/STO-3G

States and conformations

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