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	hartrees
Energy at 0K	-228.883524
Energy at 298.15K	-228.889512
HF Energy	-228.254993
Nuclear repulsion energy	123.994573

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3232	3040	12.35
2	A'	3163	2975	13.72
3	A'	3134	2948	10.11
4	A'	1555	1463	4.08
5	A'	1546	1454	2.97
6	A'	1465	1378	16.91
7	A'	1412	1328	5.45
8	A'	1268	1193	149.82
9	A'	1168	1099	6.92
10	A'	1061	998	17.43
11	A'	870	818	6.11
12	A'	513	483	11.15
13	A'	314	296	1.51
14	A"	3249	3056	23.88
15	A"	3230	3038	0.12
16	A"	1530	1439	7.44
17	A"	1303	1226	0.13
18	A"	1180	1110	4.16
19	A"	825	776	0.46
20	A"	242	228	0.45
21	A"	65	61	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	1.493	0.905	0.000
C2	0.000	0.685	0.000
O3	-0.209	-0.767	0.000
O4	-1.489	-1.058	0.000
H5	1.700	1.975	0.000
H6	1.948	0.466	0.886
H7	1.948	0.466	-0.886
H8	-0.488	1.075	-0.891
H9	-0.488	1.075	0.891

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5092	2.3859	3.5699	1.0895	1.0883	1.0883	2.1788	2.1788
C2	1.5092		1.4670	2.2922	2.1337	2.1509	2.1509	1.0881	1.0881
O3	2.3859	1.4670		1.3125	3.3407	2.6373	2.6373	2.0652	2.0652
O4	3.5699	2.2922	1.3125		4.4005	3.8620	3.8620	2.5189	2.5189
H5	1.0895	2.1337	3.3407	4.4005		1.7673	1.7673	2.5278	2.5278
H6	1.0883	2.1509	2.6373	3.8620	1.7673		1.7716	3.0759	2.5109
H7	1.0883	2.1509	2.6373	3.8620	1.7673	1.7716		2.5109	3.0759
H8	2.1788	1.0881	2.0652	2.5189	2.5278	3.0759	2.5109		1.7818
H9	2.1788	1.0881	2.0652	2.5189	2.5278	2.5109	3.0759	1.7818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.567	C1	C2	H8	113.046
C1	C2	H9	113.046	C2	C1	H5	109.321
C2	C1	H6	110.761	C2	C1	H7	110.761
C2	O3	O4	110.989	O3	C2	H8	106.915
O3	C2	H9	106.915	H5	C1	H6	108.488
H5	C1	H7	108.488	H6	C1	H7	108.961
H8	C2	H9	109.919

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

using model chemistry: MP2/6-31+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: MP2/6-31+G**

States and conformations

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