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	hartrees
Energy at 0K	-228.892829
Energy at 298.15K	-228.898809
HF Energy	-228.239789
Nuclear repulsion energy	123.071182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3147	3018
2	A'	3083	2958
3	A'	3067	2942
4	A'	1551	1488
5	A'	1538	1476
6	A'	1461	1402
7	A'	1399	1342
8	A'	1169	1122
9	A'	1142	1096
10	A'	1054	1011
11	A'	869	834
12	A'	506	486
13	A'	308	296
14	A"	3159	3030
15	A"	3136	3008
16	A"	1529	1467
17	A"	1302	1249
18	A"	1185	1137
19	A"	821	787
20	A"	228	218
21	A"	95	92

Atom	x (Å)	y (Å)	z (Å)
C1	1.498	0.915	0.000
C2	0.000	0.677	0.000
O3	-0.196	-0.773	0.000
O4	-1.507	-1.058	0.000
H5	1.701	1.994	0.000
H6	1.961	0.474	0.891
H7	1.961	0.474	-0.891
H8	-0.494	1.076	-0.894
H9	-0.494	1.076	0.894

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5170	2.3917	3.5951	1.0974	1.0965	1.0965	2.1898	2.1898
C2	1.5170		1.4634	2.2983	2.1510	2.1631	2.1631	1.0967	1.0967
O3	2.3917	1.4634		1.3417	3.3546	2.6457	2.6457	2.0750	2.0750
O4	3.5951	2.2983	1.3417		4.4278	3.8943	3.8943	2.5254	2.5254
H5	1.0974	2.1510	3.3546	4.4278		1.7806	1.7806	2.5421	2.5421
H6	1.0965	2.1631	2.6457	3.8943	1.7806		1.7823	3.0944	2.5273
H7	1.0965	2.1631	2.6457	3.8943	1.7806	1.7823		2.5273	3.0944
H8	2.1898	1.0967	2.0750	2.5254	2.5421	3.0944	2.5273		1.7885
H9	2.1898	1.0967	2.0750	2.5254	2.5421	2.5273	3.0944	1.7885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.722	C1	C2	H8	112.837
C1	C2	H9	112.837	C2	C1	H5	109.680
C2	C1	H6	110.689	C2	C1	H7	110.689
C2	O3	O4	109.965	O3	C2	H8	107.433
O3	C2	H9	107.433	H5	C1	H6	108.502
H5	C1	H7	108.502	H6	C1	H7	108.717
H8	C2	H9	109.264

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

using model chemistry: QCISD(T)/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: QCISD(T)/6-31G*

States and conformations

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