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	hartrees
Energy at 0K	-228.554640
Energy at 298.15K	-228.560574
HF Energy	-228.148275
Nuclear repulsion energy	121.007101

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3027	17.59
2	A'	3107	2972	12.76
3	A'	3078	2945	10.73
4	A'	1581	1512	3.45
5	A'	1571	1504	4.98
6	A'	1494	1429	9.43
7	A'	1431	1370	4.11
8	A'	1291	1235	170.80
9	A'	1167	1117	5.05
10	A'	1043	998	13.19
11	A'	819	784	7.21
12	A'	489	468	9.63
13	A'	301	288	1.09
14	A"	3187	3049	36.69
15	A"	3166	3029	0.92
16	A"	1560	1492	6.89
17	A"	1318	1261	0.14
18	A"	1186	1135	5.08
19	A"	848	811	1.22
20	A"	232	222	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	-1.112	0.000
H5	1.720	2.021	0.000
H6	1.966	0.497	0.891
H7	1.966	0.497	-0.891
H8	-0.495	1.103	-0.897
H9	-0.495	1.103	0.897

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5253	2.4233	3.6614	1.0986	1.0964	1.0964	2.2009	2.2009
C2	1.5253		1.5112	2.3775	2.1597	2.1691	2.1691	1.0956	1.0956
O3	2.4233	1.5112		1.3707	3.3945	2.6624	2.6624	2.1116	2.1116
O4	3.6614	2.3775	1.3707		4.5083	3.9430	3.9430	2.6006	2.6006
H5	1.0986	2.1597	3.3945	4.5083		1.7825	1.7825	2.5600	2.5600
H6	1.0964	2.1691	2.6624	3.9430	1.7825		1.7820	3.1016	2.5347
H7	1.0964	2.1691	2.6624	3.9430	1.7825	1.7820		2.5347	3.1016
H8	2.2009	1.0956	2.1116	2.6006	2.5600	3.1016	2.5347		1.7932
H9	2.2009	1.0956	2.1116	2.6006	2.5600	2.5347	3.1016	1.7932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.887	C1	C2	H8	113.205
C1	C2	H9	113.205	C2	C1	H5	109.720
C2	C1	H6	110.587	C2	C1	H7	110.587
C2	O3	O4	111.081	O3	C2	H8	107.126
O3	C2	H9	107.126	H5	C1	H6	108.595
H5	C1	H7	108.595	H6	C1	H7	108.704
H8	C2	H9	109.847

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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