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	hartrees
Energy at 0K	-228.780546
Energy at 298.15K	-228.786657
HF Energy	-228.242401
Nuclear repulsion energy	124.730791

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3253	3005	18.06
2	A'	3194	2950	15.34
3	A'	3171	2929	10.98
4	A'	1608	1485	2.94
5	A'	1590	1468	2.99
6	A'	1519	1403	20.72
7	A'	1468	1356	7.56
8	A'	1274	1177	104.23
9	A'	1219	1126	16.71
10	A'	1109	1024	13.99
11	A'	928	857	3.88
12	A'	536	495	9.13
13	A'	326	301	1.12
14	A"	3266	3017	36.21
15	A"	3245	2997	2.52
16	A"	1576	1456	6.19
17	A"	1351	1248	0.15
18	A"	1236	1142	5.24
19	A"	850	786	0.64
20	A"	250	231	0.54
21	A"	91	84	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	1.494	0.889	0.000
C2	0.000	0.669	0.000
O3	-0.213	-0.757	0.000
O4	-1.489	-1.037	0.000
H5	1.710	1.957	0.000
H6	1.948	0.445	0.884
H7	1.948	0.445	-0.884
H8	-0.480	1.078	-0.886
H9	-0.480	1.078	0.886

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5102	2.3715	3.5509	1.0890	1.0881	1.0881	2.1718	2.1718
C2	1.5102		1.4418	2.2644	2.1404	2.1508	2.1508	1.0877	1.0877
O3	2.3715	1.4418		1.3065	3.3258	2.6260	2.6260	2.0556	2.0556
O4	3.5509	2.2644	1.3065		4.3811	3.8459	3.8459	2.5058	2.5058
H5	1.0890	2.1404	3.3258	4.3811		1.7669	1.7669	2.5200	2.5200
H6	1.0881	2.1508	2.6260	3.8459	1.7669		1.7672	3.0703	2.5089
H7	1.0881	2.1508	2.6260	3.8459	1.7669	1.7672		2.5089	3.0703
H8	2.1718	1.0877	2.0556	2.5058	2.5200	3.0703	2.5089		1.7725
H9	2.1718	1.0877	2.0556	2.5058	2.5200	2.5089	3.0703	1.7725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.875	C1	C2	H8	112.416
C1	C2	H9	112.416	C2	C1	H5	109.810
C2	C1	H6	110.688	C2	C1	H7	110.688
C2	O3	O4	110.860	O3	C2	H8	107.889
O3	C2	H9	107.889	H5	C1	H6	108.502
H5	C1	H7	108.502	H6	C1	H7	108.590
H8	C2	H9	109.137

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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