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	hartrees
Energy at 0K	-228.926278
Energy at 298.15K	-228.932323
HF Energy	-228.255551
Nuclear repulsion energy	124.270878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	3012	17.24
2	A'	3170	2954	15.46
3	A'	3144	2929	11.82
4	A'	1571	1464	3.68
5	A'	1554	1448	3.14
6	A'	1482	1380	19.06
7	A'	1432	1334	8.31
8	A'	1232	1148	122.69
9	A'	1184	1103	13.01
10	A'	1081	1007	14.64
11	A'	899	837	4.44
12	A'	524	488	9.19
13	A'	319	298	1.30
14	A"	3247	3025	32.16
15	A"	3227	3006	0.59
16	A"	1539	1434	6.58
17	A"	1318	1228	0.33
18	A"	1201	1119	4.37
19	A"	831	774	0.25
20	A"	242	226	0.49
21	A"	79	74	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	1.496	0.900	0.000
C2	0.000	0.672	0.000
O3	-0.213	-0.757	0.000
O4	-1.490	-1.054	0.000
H5	1.699	1.969	0.000
H6	1.953	0.462	0.884
H7	1.953	0.462	-0.884
H8	-0.478	1.082	-0.887
H9	-0.478	1.082	0.887

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5137	2.3814	3.5694	1.0875	1.0873	1.0873	2.1720	2.1720
C2	1.5137		1.4452	2.2805	2.1375	2.1538	2.1538	1.0876	1.0876
O3	2.3814	1.4452		1.3109	3.3301	2.6379	2.6379	2.0591	2.0591
O4	3.5694	2.2805	1.3109		4.3945	3.8642	3.8642	2.5249	2.5249
H5	1.0875	2.1375	3.3301	4.3945		1.7656	1.7656	2.5125	2.5125
H6	1.0873	2.1538	2.6379	3.8642	1.7656		1.7680	3.0706	2.5086
H7	1.0873	2.1538	2.6379	3.8642	1.7656	1.7680		2.5086	3.0706
H8	2.1720	1.0876	2.0591	2.5249	2.5125	3.0706	2.5086		1.7736
H9	2.1720	1.0876	2.0591	2.5249	2.5125	2.5086	3.0706	1.7736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.164	C1	C2	H8	112.182
C1	C2	H9	112.182	C2	C1	H5	109.425
C2	C1	H6	110.730	C2	C1	H7	110.730
C2	O3	O4	111.586	O3	C2	H8	107.940
O3	C2	H9	107.940	H5	C1	H6	108.556
H5	C1	H7	108.556	H6	C1	H7	108.787
H8	C2	H9	109.238

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

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

States and conformations

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