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	hartrees
Energy at 0K	-45.417413
Energy at 298.15K	-45.423287
HF Energy	-45.066001
Nuclear repulsion energy	69.086081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3153	3047	42.42
2	A'	3089	2985	30.22
3	A'	3051	2948	23.95
4	A'	1535	1483	4.64
5	A'	1528	1477	4.37
6	A'	1462	1413	2.60
7	A'	1428	1380	55.39
8	A'	1371	1325	139.00
9	A'	1144	1106	5.07
10	A'	1024	990	15.02
11	A'	815	788	7.71
12	A'	476	460	10.33
13	A'	288	278	1.45
14	A"	3185	3078	79.83
15	A"	3162	3055	1.88
16	A"	1514	1463	7.06
17	A"	1280	1236	0.53
18	A"	1159	1120	5.49
19	A"	831	803	1.70
20	A"	215	208	0.73
21	A"	72	69	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	1.539	0.935	0.000
C2	0.000	0.731	0.000
O3	-0.206	-0.785	0.000
O4	-1.543	-1.118	0.000
H5	1.766	2.023	0.000
H6	1.992	0.477	0.902
H7	1.992	0.477	-0.902
H8	-0.495	1.123	-0.910
H9	-0.495	1.123	0.910

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5525	2.4507	3.7034	1.1111	1.1083	1.1083	2.2364	2.2364
C2	1.5525		1.5305	2.4086	2.1877	2.2015	2.2015	1.1073	1.1073
O3	2.4507	1.5305		1.3774	3.4314	2.6907	2.6907	2.1337	2.1337
O4	3.7034	2.4086	1.3774		4.5622	3.9818	3.9818	2.6361	2.6361
H5	1.1111	2.1877	3.4314	4.5622		1.8039	1.8039	2.5979	2.5979
H6	1.1083	2.2015	2.6907	3.9818	1.8039		1.8039	3.1442	2.5699
H7	1.1083	2.2015	2.6907	3.9818	1.8039	1.8039		2.5699	3.1442
H8	2.2364	1.1073	2.1337	2.6361	2.5979	3.1442	2.5699		1.8191
H9	2.2364	1.1073	2.1337	2.6361	2.5979	2.5699	3.1442	1.8191

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.291	C1	C2	H8	113.390
C1	C2	H9	113.390	C2	C1	H5	109.313
C2	C1	H6	110.543	C2	C1	H7	110.543
C2	O3	O4	111.745	O3	C2	H8	106.879
O3	C2	H9	106.879	H5	C1	H6	108.731
H5	C1	H7	108.731	H6	C1	H7	108.936
H8	C2	H9	110.447

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

using model chemistry: MP2/CEP-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/CEP-31G

States and conformations

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