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	hartrees
Energy at 0K	-227.371028
Energy at 298.15K	-227.377073
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	2982	16.75
2	A'	3154	2938	12.21
3	A'	3133	2918	9.12
4	A'	1631	1520	3.29
5	A'	1615	1505	5.95
6	A'	1518	1415	10.67
7	A'	1455	1356	11.58
8	A'	1322	1232	70.36
9	A'	1197	1115	10.71
10	A'	1039	968	12.33
11	A'	897	835	3.76
12	A'	491	457	7.32
13	A'	300	280	0.71
14	A"	3218	2998	37.05
15	A"	3194	2976	2.90
16	A"	1601	1491	6.21
17	A"	1352	1260	0.33
18	A"	1221	1137	5.09
19	A"	875	816	1.27
20	A"	239	223	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)