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	hartrees
Energy at 0K	-228.952108
Energy at 298.15K	-228.958062
HF Energy	-228.258810
Nuclear repulsion energy	123.212558

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3152	3086
2	A'	3071	3006
3	A'	3060	2995
4	A'	1501	1470
5	A'	1489	1457
6	A'	1416	1385
7	A'	1366	1337
8	A'	1151	1126
9	A'	1130	1106
10	A'	1052	1030
11	A'	860	842
12	A'	510	499
13	A'	303	297
14	A"	3157	3090
15	A"	3129	3063
16	A"	1473	1442
17	A"	1275	1248
18	A"	1156	1131
19	A"	803	786
20	A"	219	215
21	A"	88	86

Atom	x (Å)	y (Å)	z (Å)
C1	1.503	0.909	0.000
C2	0.000	0.672	0.000
O3	-0.205	-0.772	0.000
O4	-1.504	-1.049	0.000
H5	1.707	1.995	0.000
H6	1.968	0.463	0.897
H7	1.968	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		1.5214	2.3960	3.5888	1.1049	1.1049	1.1049	2.1968	2.1968
C2	1.5214		1.4583	2.2861	2.1597	2.1731	2.1731	1.1054	1.1054
O3	2.3960	1.4583		1.3291	3.3630	2.6554	2.6554	2.0805	2.0805
O4	3.5888	2.2861	1.3291		4.4251	3.8924	3.8924	2.5244	2.5244
H5	1.1049	2.1597	3.3630	4.4251		1.7944	1.7944	2.5472	2.5472
H6	1.1049	2.1731	2.6554	3.8924	1.7944		1.7949	3.1103	2.5380
H7	1.1049	2.1731	2.6554	3.8924	1.7944	1.7949		2.5380	3.1103
H8	2.1968	1.1054	2.0805	2.5244	2.5472	3.1103	2.5380		1.8010
H9	2.1968	1.1054	2.0805	2.5244	2.5472	2.5380	3.1103	1.8010

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.031	C1	C2	H8	112.537
C1	C2	H9	112.537	C2	C1	H5	109.616
C2	C1	H6	110.671	C2	C1	H7	110.671
C2	O3	O4	110.118	O3	C2	H8	107.697
O3	C2	H9	107.697	H5	C1	H6	108.593
H5	C1	H7	108.593	H6	C1	H7	108.640
H8	C2	H9	109.098

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

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

States and conformations

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