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	hartrees
Energy at 0K	-228.559328
Energy at 298.15K	-228.565264
HF Energy	-228.148311
Nuclear repulsion energy	121.025009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3007	17.48
2	A'	3107	2952	12.74
3	A'	3079	2925	10.69
4	A'	1580	1502	3.49
5	A'	1571	1493	4.98
6	A'	1494	1419	9.47
7	A'	1432	1360	4.10
8	A'	1291	1226	170.93
9	A'	1167	1109	5.06
10	A'	1044	992	13.19
11	A'	820	779	7.17
12	A'	489	465	9.62
13	A'	301	286	1.09
14	A"	3188	3028	36.49
15	A"	3166	3008	0.97
16	A"	1560	1482	6.92
17	A"	1318	1253	0.14
18	A"	1186	1127	5.10
19	A"	848	805	1.23
20	A"	233	221	0.72
21	A"	66	63	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	1.508	0.943	0.000
C2	0.000	0.715	0.000
O3	-0.191	-0.784	0.000
O4	-1.522	-1.111	0.000
H5	1.720	2.021	0.000
H6	1.965	0.497	0.891
H7	1.965	0.497	-0.891
H8	-0.495	1.103	-0.896
H9	-0.495	1.103	0.896

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5251	2.4227	3.6608	1.0984	1.0963	1.0963	2.2005	2.2005
C2	1.5251		1.5108	2.3772	2.1595	2.1688	2.1688	1.0954	1.0954
O3	2.4227	1.5108		1.3706	3.3939	2.6617	2.6617	2.1113	2.1113
O4	3.6608	2.3772	1.3706		4.5077	3.9424	3.9424	2.6003	2.6003
H5	1.0984	2.1595	3.3939	4.5077		1.7822	1.7822	2.5598	2.5598
H6	1.0963	2.1688	2.6617	3.9424	1.7822		1.7817	3.1012	2.5343
H7	1.0963	2.1688	2.6617	3.9424	1.7822	1.7817		2.5343	3.1012
H8	2.2005	1.0954	2.1113	2.6003	2.5598	3.1012	2.5343		1.7929
H9	2.2005	1.0954	2.1113	2.6003	2.5598	2.5343	3.1012	1.7929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.882	C1	C2	H8	113.205
C1	C2	H9	113.205	C2	C1	H5	109.732
C2	C1	H6	110.587	C2	C1	H7	110.587
C2	O3	O4	111.084	O3	C2	H8	107.132
O3	C2	H9	107.132	H5	C1	H6	108.591
H5	C1	H7	108.591	H6	C1	H7	108.698
H8	C2	H9	109.842

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G

States and conformations

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