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	hartrees
Energy at 0K	-228.969665
Energy at 298.15K	-228.975731
HF Energy	-228.298423
Nuclear repulsion energy	124.661096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3189	3189
2	A'	3118	3118
3	A'	3094	3094
4	A'	1536	1536
5	A'	1524	1524
6	A'	1449	1449
7	A'	1404	1404
8	A'	1249	1249
9	A'	1167	1167
10	A'	1069	1069
11	A'	886	886
12	A'	524	524
13	A'	320	320
14	A"	3200	3200
15	A"	3179	3179
16	A"	1505	1505
17	A"	1309	1309
18	A"	1185	1185
19	A"	824	824
20	A"	263	263
21	A"	77	77

Atom	x (Å)	y (Å)	z (Å)
C1	1.497	0.891	0.000
C2	0.000	0.676	0.000
O3	-0.221	-0.760	0.000
O4	-1.483	-1.042	0.000
H5	1.712	1.962	0.000
H6	1.949	0.444	0.888
H7	1.949	0.444	-0.888
H8	-0.481	1.082	-0.892
H9	-0.481	1.082	0.892

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5124	2.3830	3.5514	1.0928	1.0919	1.0919	2.1788	2.1788
C2	1.5124		1.4536	2.2692	2.1412	2.1545	2.1545	1.0919	1.0919
O3	2.3830	1.4536		1.2923	3.3391	2.6364	2.6364	2.0635	2.0635
O4	3.5514	2.2692	1.2923		4.3851	3.8437	3.8437	2.5116	2.5116
H5	1.0928	2.1412	3.3391	4.3851		1.7745	1.7745	2.5263	2.5263
H6	1.0919	2.1545	2.6364	3.8437	1.7745		1.7763	3.0796	2.5130
H7	1.0919	2.1545	2.6364	3.8437	1.7745	1.7763		2.5130	3.0796
H8	2.1788	1.0919	2.0635	2.5116	2.5263	3.0796	2.5130		1.7842
H9	2.1788	1.0919	2.0635	2.5116	2.5263	2.5130	3.0796	1.7842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.902	C1	C2	H8	112.570
C1	C2	H9	112.570	C2	C1	H5	109.494
C2	C1	H6	110.603	C2	C1	H7	110.603
C2	O3	O4	111.328	O3	C2	H8	107.469
O3	C2	H9	107.469	H5	C1	H6	108.621
H5	C1	H7	108.621	H6	C1	H7	108.849
H8	C2	H9	109.570

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)