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	hartrees
Energy at 0K	-227.371028
Energy at 298.15K	-227.377064
HF Energy	-226.994494
Nuclear repulsion energy	121.081283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3201	2979	16.75
2	A'	3154	2935	12.21
3	A'	3133	2915	9.12
4	A'	1631	1518	3.29
5	A'	1615	1503	5.95
6	A'	1518	1413	10.67
7	A'	1455	1354	11.58
8	A'	1322	1230	70.36
9	A'	1197	1114	10.71
10	A'	1039	966	12.33
11	A'	897	834	3.76
12	A'	491	457	7.32
13	A'	300	280	0.71
14	A"	3218	2994	37.05
15	A"	3194	2972	2.90
16	A"	1601	1489	6.21
17	A"	1352	1258	0.33
18	A"	1221	1136	5.09
19	A"	875	815	1.27
20	A"	239	222	0.77
21	A"	92	86	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	1.511	0.927	0.000
C2	0.000	0.688	0.000
O3	-0.169	-0.789	0.000
O4	-1.550	-1.066	0.000
H5	1.720	1.999	0.000
H6	1.959	0.477	0.887
H7	1.959	0.477	-0.887
H8	-0.478	1.094	-0.891
H9	-0.478	1.094	0.891

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5302	2.4015	3.6535	1.0918	1.0906	1.0906	2.1864	2.1864
C2	1.5302		1.4865	2.3412	2.1625	2.1610	2.1610	1.0892	1.0892
O3	2.4015	1.4865		1.4092	3.3672	2.6300	2.6300	2.1052	2.1052
O4	3.6535	2.3412	1.4092		4.4821	3.9352	3.9352	2.5703	2.5703
H5	1.0918	2.1625	3.3672	4.4821		1.7775	1.7775	2.5388	2.5388
H6	1.0906	2.1610	2.6300	3.9352	1.7775		1.7730	3.0792	2.5146
H7	1.0906	2.1610	2.6300	3.9352	1.7775	1.7730		2.5146	3.0792
H8	2.1864	1.0892	2.1052	2.5703	2.5388	3.0792	2.5146		1.7812
H9	2.1864	1.0892	2.1052	2.5703	2.5388	2.5146	3.0792	1.7812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.502	C1	C2	H8	112.067
C1	C2	H9	112.067	C2	C1	H5	109.997
C2	C1	H6	109.956	C2	C1	H7	109.956
C2	O3	O4	107.868	O3	C2	H8	108.657
O3	C2	H9	108.657	H5	C1	H6	109.072
H5	C1	H7	109.072	H6	C1	H7	108.761
H8	C2	H9	109.707

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

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

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