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	hartrees
Energy at 0K	-228.960810
Energy at 298.15K	-228.966769
HF Energy	-228.258999
Nuclear repulsion energy	123.297346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3159	3043
2	A'	3077	2964
3	A'	3065	2953
4	A'	1504	1449
5	A'	1491	1436
6	A'	1418	1366
7	A'	1368	1318
8	A'	1152	1109
9	A'	1131	1089
10	A'	1054	1016
11	A'	862	830
12	A'	511	492
13	A'	304	293
14	A"	3164	3047
15	A"	3135	3020
16	A"	1475	1421
17	A"	1277	1230
18	A"	1157	1115
19	A"	804	775
20	A"	220	212
21	A"	88	85

Atom	x (Å)	y (Å)	z (Å)
C1	1.502	0.909	0.000
C2	0.000	0.672	0.000
O3	-0.204	-0.771	0.000
O4	-1.503	-1.049	0.000
H5	1.706	1.993	0.000
H6	1.967	0.463	0.897
H7	1.967	0.463	-0.897
H8	-0.493	1.081	-0.900
H9	-0.493	1.081	0.900

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5202	2.3940	3.5866	1.1038	1.1038	1.1038	2.1948	2.1948
C2	1.5202		1.4570	2.2851	2.1579	2.1713	2.1713	1.1044	1.1044
O3	2.3940	1.4570		1.3286	3.3601	2.6532	2.6532	2.0789	2.0789
O4	3.5866	2.2851	1.3286		4.4223	3.8900	3.8900	2.5234	2.5234
H5	1.1038	2.1579	3.3601	4.4223		1.7927	1.7927	2.5449	2.5449
H6	1.1038	2.1713	2.6532	3.8900	1.7927		1.7931	3.1076	2.5359
H7	1.1038	2.1713	2.6532	3.8900	1.7927	1.7931		2.5359	3.1076
H8	2.1948	1.1044	2.0789	2.5234	2.5449	3.1076	2.5359		1.7991
H9	2.1948	1.1044	2.0789	2.5234	2.5449	2.5359	3.1076	1.7991

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.032	C1	C2	H8	112.531
C1	C2	H9	112.531	C2	C1	H5	109.627
C2	C1	H6	110.677	C2	C1	H7	110.677
C2	O3	O4	110.149	O3	C2	H8	107.715
O3	C2	H9	107.715	H5	C1	H6	108.587
H5	C1	H7	108.587	H6	C1	H7	108.629
H8	C2	H9	109.075

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

using model chemistry: CCSD(T)=FULL/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(T)=FULL/cc-pVDZ

States and conformations

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