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	hartrees
Energy at 0K	-225.532910
Energy at 298.15K	-225.538722
HF Energy	-225.363225
Nuclear repulsion energy	120.703634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3564	3564
2	A'	3383	3383
3	A'	3362	3362
4	A'	1730	1730
5	A'	1704	1704
6	A'	1612	1612
7	A'	1520	1520
8	A'	1320	1320
9	A'	1264	1264
10	A'	1159	1159
11	A'	986	986
12	A'	518	518
13	A'	307	307
14	A"	3566	3566
15	A"	3476	3476
16	A"	1718	1718
17	A"	1397	1397
18	A"	1236	1236
19	A"	881	881
20	A"	204	204
21	A"	82	82

Atom	x (Å)	y (Å)	z (Å)
C1	1.534	0.934	0.000
C2	0.000	0.669	0.000
O3	-0.196	-0.813	0.000
O4	-1.551	-1.043	0.000
H5	1.728	2.020	0.000
H6	2.001	0.491	0.896
H7	2.001	0.491	-0.896
H8	-0.479	1.114	-0.901
H9	-0.479	1.114	0.901

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5571	2.4585	3.6644	1.1031	1.1029	1.1029	2.2131	2.2131
C2	1.5571		1.4942	2.3100	2.1935	2.1993	2.1993	1.1134	1.1134
O3	2.4585	1.4942		1.3744	3.4241	2.7069	2.7069	2.1457	2.1457
O4	3.6644	2.3100	1.3744		4.4870	3.9712	3.9712	2.5720	2.5720
H5	1.1031	2.1935	3.4241	4.4870		1.7929	1.7929	2.5500	2.5500
H6	1.1029	2.1993	2.7069	3.9712	1.7929		1.7918	3.1251	2.5568
H7	1.1029	2.1993	2.7069	3.9712	1.7929	1.7918		2.5568	3.1251
H8	2.2131	1.1134	2.1457	2.5720	2.5500	3.1251	2.5568		1.8021
H9	2.2131	1.1134	2.1457	2.5720	2.5500	2.5568	3.1251	1.8021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.346	C1	C2	H8	110.841
C1	C2	H9	110.841	C2	C1	H5	109.915
C2	C1	H6	110.381	C2	C1	H7	110.381
C2	O3	O4	107.200	O3	C2	H8	109.885
O3	C2	H9	109.885	H5	C1	H6	108.737
H5	C1	H7	108.737	H6	C1	H7	108.646
H8	C2	H9	108.047

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

using model chemistry: ROMP2/STO-3G

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/STO-3G

States and conformations

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