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	hartrees
Energy at 0K	-229.124578
Energy at 298.15K	-229.130574
HF Energy	-228.341033
Nuclear repulsion energy	124.812604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3033	9.64
2	A'	3122	2971	11.99
3	A'	3096	2946	7.50
4	A'	1526	1452	5.70
5	A'	1515	1442	1.96
6	A'	1430	1361	14.26
7	A'	1395	1327	1.19
8	A'	1286	1223	130.46
9	A'	1153	1097	6.88
10	A'	1057	1006	18.95
11	A'	869	826	3.83
12	A'	515	490	11.42
13	A'	312	297	1.43
14	A"	3202	3046	19.90
15	A"	3181	3027	0.09
16	A"	1501	1428	6.54
17	A"	1295	1233	0.26
18	A"	1167	1110	4.00
19	A"	810	771	0.89
20	A"	236	225	0.37
21	A"	78	74	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	1.493	0.888	0.000
C2	0.000	0.669	0.000
O3	-0.217	-0.757	0.000
O4	-1.484	-1.037	0.000
H5	1.702	1.955	0.000
H6	1.947	0.446	0.884
H7	1.947	0.446	-0.884
H8	-0.476	1.080	-0.887
H9	-0.476	1.080	0.887

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5094	2.3730	3.5456	1.0874	1.0873	1.0873	2.1687	2.1687
C2	1.5094		1.4426	2.2614	2.1333	2.1498	2.1498	1.0874	1.0874
O3	2.3730	1.4426		1.2977	3.3224	2.6289	2.6289	2.0564	2.0564
O4	3.5456	2.2614	1.2977		4.3710	3.8410	3.8410	2.5070	2.5070
H5	1.0874	2.1333	3.3224	4.3710		1.7658	1.7658	2.5096	2.5096
H6	1.0873	2.1498	2.6289	3.8410	1.7658		1.7678	3.0675	2.5048
H7	1.0873	2.1498	2.6289	3.8410	1.7658	1.7678		2.5048	3.0675
H8	2.1687	1.0874	2.0564	2.5070	2.5096	3.0675	2.5048		1.7740
H9	2.1687	1.0874	2.0564	2.5070	2.5096	2.5048	3.0675	1.7740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.977	C1	C2	H8	112.246
C1	C2	H9	112.246	C2	C1	H5	109.400
C2	C1	H6	110.725	C2	C1	H7	110.725
C2	O3	O4	111.114	O3	C2	H8	107.923
O3	C2	H9	107.923	H5	C1	H6	108.581
H5	C1	H7	108.581	H6	C1	H7	108.773
H8	C2	H9	109.317

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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