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	hartrees
Energy at 0K	-228.829607
Energy at 298.15K	-228.835615
HF Energy	-228.241465
Nuclear repulsion energy	124.050970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3216	3033	11.06
2	A'	3144	2965	12.37
3	A'	3124	2946	7.13
4	A'	1571	1482	3.81
5	A'	1561	1472	2.71
6	A'	1478	1394	16.58
7	A'	1423	1341	4.25
8	A'	1274	1201	132.89
9	A'	1180	1112	9.44
10	A'	1071	1010	14.83
11	A'	882	832	3.78
12	A'	518	489	11.05
13	A'	316	298	1.25
14	A"	3229	3045	22.91
15	A"	3208	3025	3.51
16	A"	1550	1461	6.92
17	A"	1314	1239	0.00
18	A"	1195	1127	4.51
19	A"	831	784	1.11
20	A"	245	231	0.44
21	A"	72	68	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	1.494	0.892	0.000
C2	0.000	0.678	0.000
O3	-0.207	-0.767	0.000
O4	-1.492	-1.037	0.000
H5	1.708	1.964	0.000
H6	1.948	0.447	0.888
H7	1.948	0.447	-0.888
H8	-0.486	1.081	-0.892
H9	-0.486	1.081	0.892

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5091	2.3763	3.5549	1.0930	1.0918	1.0918	2.1791	2.1791
C2	1.5091		1.4599	2.2732	2.1376	2.1530	2.1530	1.0922	1.0922
O3	2.3763	1.4599		1.3129	3.3355	2.6280	2.6280	2.0707	2.0707
O4	3.5549	2.2732	1.3129		4.3867	3.8502	3.8502	2.5087	2.5087
H5	1.0930	2.1376	3.3355	4.3867		1.7738	1.7738	2.5267	2.5267
H6	1.0918	2.1530	2.6280	3.8502	1.7738		1.7752	3.0803	2.5146
H7	1.0918	2.1530	2.6280	3.8502	1.7738	1.7752		2.5146	3.0803
H8	2.1791	1.0922	2.0707	2.5087	2.5267	3.0803	2.5146		1.7831
H9	2.1791	1.0922	2.0707	2.5087	2.5267	2.5146	3.0803	1.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.319	C1	C2	H8	112.810
C1	C2	H9	112.810	C2	C1	H5	109.435
C2	C1	H6	110.721	C2	C1	H7	110.721
C2	O3	O4	110.017	O3	C2	H8	107.586
O3	C2	H9	107.586	H5	C1	H6	108.567
H5	C1	H7	108.567	H6	C1	H7	108.772
H8	C2	H9	109.420

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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