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	hartrees
Energy at 0K	-228.932622
Energy at 298.15K	-228.938698
HF Energy	-228.290924
Nuclear repulsion energy	124.683083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3193	3193
2	A'	3124	3124
3	A'	3098	3098
4	A'	1554	1554
5	A'	1541	1541
6	A'	1462	1462
7	A'	1418	1418
8	A'	1254	1254
9	A'	1173	1173
10	A'	1068	1068
11	A'	886	886
12	A'	524	524
13	A'	322	322
14	A"	3204	3204
15	A"	3185	3185
16	A"	1526	1526
17	A"	1319	1319
18	A"	1195	1195
19	A"	825	825
20	A"	266	266
21	A"	82	82

Atom	x (Å)	y (Å)	z (Å)
C1	1.497	0.890	0.000
C2	0.000	0.678	0.000
O3	-0.222	-0.761	0.000
O4	-1.482	-1.041	0.000
H5	1.717	1.960	0.000
H6	1.950	0.444	0.887
H7	1.950	0.444	-0.887
H8	-0.485	1.079	-0.892
H9	-0.485	1.079	0.892

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5117	2.3828	3.5501	1.0918	1.0911	1.0911	2.1810	2.1810
C2	1.5117		1.4555	2.2698	2.1430	2.1547	2.1547	1.0912	1.0912
O3	2.3828	1.4555		1.2912	3.3405	2.6367	2.6367	2.0611	2.0611
O4	3.5501	2.2698	1.2912		4.3865	3.8431	3.8431	2.5069	2.5069
H5	1.0918	2.1430	3.3405	4.3865		1.7710	1.7710	2.5339	2.5339
H6	1.0911	2.1547	2.6367	3.8431	1.7710		1.7730	3.0810	2.5162
H7	1.0911	2.1547	2.6367	3.8431	1.7710	1.7730		2.5162	3.0810
H8	2.1810	1.0912	2.0611	2.5069	2.5339	3.0810	2.5162		1.7830
H9	2.1810	1.0912	2.0611	2.5069	2.5339	2.5162	3.0810	1.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.835	C1	C2	H8	112.849
C1	C2	H9	112.849	C2	C1	H5	109.747
C2	C1	H6	110.720	C2	C1	H7	110.720
C2	O3	O4	111.314	O3	C2	H8	107.194
O3	C2	H9	107.194	H5	C1	H6	108.454
H5	C1	H7	108.454	H6	C1	H7	108.681
H8	C2	H9	109.568

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

using model chemistry: ROMP2/6-311G*

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: ROMP2/6-311G*

States and conformations

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