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	hartrees
Energy at 0K	-228.843987
Energy at 298.15K	-228.850005
HF Energy	-228.241552
Nuclear repulsion energy	124.147511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3031	10.86
2	A'	3145	2963	12.31
3	A'	3125	2944	7.03
4	A'	1572	1481	3.94
5	A'	1562	1471	2.71
6	A'	1480	1394	16.96
7	A'	1424	1342	4.16
8	A'	1275	1201	132.42
9	A'	1181	1113	9.47
10	A'	1073	1011	14.83
11	A'	884	833	3.71
12	A'	520	490	11.06
13	A'	317	298	1.25
14	A"	3230	3043	22.50
15	A"	3209	3023	3.59
16	A"	1550	1461	7.03
17	A"	1316	1240	0.00
18	A"	1197	1127	4.54
19	A"	832	784	1.14
20	A"	246	232	0.43
21	A"	75	70	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	1.494	0.898	0.000
C2	0.000	0.681	0.000
O3	-0.209	-0.765	0.000
O4	-1.490	-1.047	0.000
H5	1.711	1.968	0.000
H6	1.947	0.452	0.887
H7	1.947	0.452	-0.887
H8	-0.488	1.080	-0.891
H9	-0.488	1.080	0.891

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5093	2.3801	3.5611	1.0927	1.0915	1.0915	2.1806	2.1806
C2	1.5093		1.4609	2.2812	2.1415	2.1521	2.1521	1.0917	1.0917
O3	2.3801	1.4609		1.3111	3.3407	2.6306	2.6306	2.0679	2.0679
O4	3.5611	2.2812	1.3111		4.3974	3.8533	3.8533	2.5140	2.5140
H5	1.0927	2.1415	3.3407	4.3974		1.7727	1.7727	2.5338	2.5338
H6	1.0915	2.1521	2.6306	3.8533	1.7727		1.7742	3.0803	2.5152
H7	1.0915	2.1521	2.6306	3.8533	1.7727	1.7742		2.5152	3.0803
H8	2.1806	1.0917	2.0679	2.5140	2.5338	3.0803	2.5152		1.7823
H9	2.1806	1.0917	2.0679	2.5140	2.5338	2.5152	3.0803	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.501	C1	C2	H8	112.951
C1	C2	H9	112.951	C2	C1	H5	109.741
C2	C1	H6	110.654	C2	C1	H7	110.654
C2	O3	O4	110.643	O3	C2	H8	107.327
O3	C2	H9	107.327	H5	C1	H6	108.503
H5	C1	H7	108.503	H6	C1	H7	108.727
H8	C2	H9	109.434

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

using model chemistry: MP2=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: MP2=FULL/6-31G*

States and conformations

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