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	hartrees
Energy at 0K	-228.902987
Energy at 298.15K	-228.909035
HF Energy	-228.249827
Nuclear repulsion energy	124.157500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	3021	17.88
2	A'	3150	2954	16.32
3	A'	3133	2938	10.75
4	A'	1577	1479	1.95
5	A'	1561	1463	2.23
6	A'	1484	1392	15.80
7	A'	1433	1343	9.84
8	A'	1230	1153	112.36
9	A'	1187	1113	12.74
10	A'	1082	1015	11.17
11	A'	901	845	3.60
12	A'	523	490	8.61
13	A'	318	298	1.18
14	A"	3232	3031	33.00
15	A"	3208	3008	6.71
16	A"	1548	1451	4.54
17	A"	1319	1237	0.12
18	A"	1204	1129	4.60
19	A"	830	779	0.30
20	A"	244	229	0.52
21	A"	83	78	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	1.497	0.900	0.000
C2	0.000	0.673	0.000
O3	-0.208	-0.765	0.000
O4	-1.494	-1.045	0.000
H5	1.706	1.969	0.000
H6	1.951	0.457	0.885
H7	1.951	0.457	-0.885
H8	-0.482	1.079	-0.888
H9	-0.482	1.079	0.888

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5137	2.3827	3.5674	1.0893	1.0885	1.0885	2.1764	2.1764
C2	1.5137		1.4525	2.2765	2.1421	2.1533	2.1533	1.0891	1.0891
O3	2.3827	1.4525		1.3161	3.3370	2.6345	2.6345	2.0650	2.0650
O4	3.5674	2.2765	1.3161		4.3954	3.8616	3.8616	2.5147	2.5147
H5	1.0893	2.1421	3.3370	4.3954		1.7684	1.7684	2.5230	2.5230
H6	1.0885	2.1533	2.6345	3.8616	1.7684		1.7691	3.0743	2.5121
H7	1.0885	2.1533	2.6345	3.8616	1.7684	1.7691		2.5121	3.0743
H8	2.1764	1.0891	2.0650	2.5147	2.5230	3.0743	2.5121		1.7752
H9	2.1764	1.0891	2.0650	2.5147	2.5230	2.5121	3.0743	1.7752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.871	C1	C2	H8	112.456
C1	C2	H9	112.456	C2	C1	H5	109.678
C2	C1	H6	110.620	C2	C1	H7	110.620
C2	O3	O4	110.523	O3	C2	H8	107.824
O3	C2	H9	107.824	H5	C1	H6	108.583
H5	C1	H7	108.583	H6	C1	H7	108.702
H8	C2	H9	109.180

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

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

States and conformations

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