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	hartrees
Energy at 0K	-228.879937
Energy at 298.15K	-228.886071
HF Energy	-228.297694
Nuclear repulsion energy	125.220590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	2985	23.75
2	A'	3173	2936	17.71
3	A'	3147	2912	13.92
4	A'	1595	1476	5.27
5	A'	1574	1457	3.02
6	A'	1508	1395	25.17
7	A'	1465	1356	3.21
8	A'	1298	1201	90.17
9	A'	1215	1124	16.57
10	A'	1105	1023	15.78
11	A'	927	858	3.48
12	A'	541	501	9.44
13	A'	328	304	1.48
14	A"	3241	2999	46.52
15	A"	3219	2978	0.13
16	A"	1560	1443	7.74
17	A"	1358	1256	0.69
18	A"	1233	1140	5.69
19	A"	842	780	0.62
20	A"	247	229	0.53
21	A"	95	88	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	1.494	0.885	0.000
C2	0.000	0.666	0.000
O3	-0.220	-0.753	0.000
O4	-1.482	-1.033	0.000
H5	1.710	1.951	0.000
H6	1.949	0.442	0.882
H7	1.949	0.442	-0.882
H8	-0.479	1.075	-0.886
H9	-0.479	1.075	0.886

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5098	2.3710	3.5400	1.0879	1.0872	1.0872	2.1705	2.1705
C2	1.5098		1.4358	2.2539	2.1396	2.1511	2.1511	1.0870	1.0870
O3	2.3710	1.4358		1.2921	3.3227	2.6292	2.6292	2.0483	2.0483
O4	3.5400	2.2539	1.2921		4.3695	3.8371	3.8371	2.4972	2.4972
H5	1.0879	2.1396	3.3227	4.3695		1.7644	1.7644	2.5184	2.5184
H6	1.0872	2.1511	2.6292	3.8371	1.7644		1.7646	3.0693	2.5088
H7	1.0872	2.1511	2.6292	3.8371	1.7644	1.7646		2.5088	3.0693
H8	2.1705	1.0870	2.0483	2.4972	2.5184	3.0693	2.5088		1.7716
H9	2.1705	1.0870	2.0483	2.4972	2.5184	2.5088	3.0693	1.7716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.180	C1	C2	H8	112.378
C1	C2	H9	112.378	C2	C1	H5	109.833
C2	C1	H6	110.797	C2	C1	H7	110.797
C2	O3	O4	111.321	O3	C2	H8	107.765
O3	C2	H9	107.765	H5	C1	H6	108.423
H5	C1	H7	108.423	H6	C1	H7	108.496
H8	C2	H9	109.152

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

using model chemistry: CISD/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: CISD/6-311G*

States and conformations

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