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	hartrees
Energy at 0K	-228.933171
Energy at 298.15K	-228.939188
HF Energy	-228.259548
Nuclear repulsion energy	123.593055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3166	2999	16.51
2	A'	3093	2930	14.49
3	A'	3076	2914	14.01
4	A'	1513	1434	2.58
5	A'	1500	1421	1.48
6	A'	1432	1356	21.71
7	A'	1383	1310	11.31
8	A'	1175	1113	28.04
9	A'	1155	1094	12.60
10	A'	1069	1013	12.98
11	A'	878	832	3.39
12	A'	518	491	8.56
13	A'	310	293	1.43
14	A"	3172	3005	31.92
15	A"	3147	2981	6.53
16	A"	1483	1405	5.32
17	A"	1282	1215	0.45
18	A"	1166	1105	5.04
19	A"	809	766	0.56
20	A"	237	224	0.49
21	A"	91	86	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	1.502	0.904	0.000
C2	0.000	0.669	0.000
O3	-0.208	-0.768	0.000
O4	-1.501	-1.043	0.000
H5	1.708	1.988	0.000
H6	1.966	0.457	0.896
H7	1.966	0.457	-0.896
H8	-0.491	1.080	-0.899
H9	-0.491	1.080	0.899

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5200	2.3913	3.5785	1.1038	1.1035	1.1035	2.1928	2.1928
C2	1.5200		1.4520	2.2767	2.1584	2.1711	2.1711	1.1036	1.1036
O3	2.3913	1.4520		1.3218	3.3570	2.6519	2.6519	2.0749	2.0749
O4	3.5785	2.2767	1.3218		4.4145	3.8828	3.8828	2.5176	2.5176
H5	1.1038	2.1584	3.3570	4.4145		1.7921	1.7921	2.5431	2.5431
H6	1.1035	2.1711	2.6519	3.8828	1.7921		1.7921	3.1058	2.5346
H7	1.1035	2.1711	2.6519	3.8828	1.7921	1.7921		2.5346	3.1058
H8	2.1928	1.1036	2.0749	2.5176	2.5431	3.1058	2.5346		1.7976
H9	2.1928	1.1036	2.0749	2.5176	2.5431	2.5346	3.1058	1.7976

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.125	C1	C2	H8	112.432
C1	C2	H9	112.432	C2	C1	H5	109.685
C2	C1	H6	110.698	C2	C1	H7	110.698
C2	O3	O4	110.240	O3	C2	H8	107.784
O3	C2	H9	107.784	H5	C1	H6	108.563
H5	C1	H7	108.563	H6	C1	H7	108.576
H8	C2	H9	109.061

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

using model chemistry: CCSD/cc-pVDZ

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: CCSD/cc-pVDZ

States and conformations

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