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	hartrees
Energy at 0K	-228.586528
Energy at 298.15K	-228.592407
HF Energy	-228.200901
Nuclear repulsion energy	120.175240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3144	3028	27.74
2	A'	3083	2969	23.36
3	A'	3040	2928	18.08
4	A'	1545	1488	7.82
5	A'	1540	1484	3.00
6	A'	1466	1412	8.02
7	A'	1426	1373	25.06
8	A'	1364	1313	163.61
9	A'	1145	1103	5.38
10	A'	1024	986	16.31
11	A'	809	779	7.85
12	A'	477	459	9.69
13	A'	293	282	1.32
14	A"	3173	3056	52.12
15	A"	3150	3034	1.36
16	A"	1527	1471	8.30
17	A"	1290	1242	0.20
18	A"	1168	1125	5.55
19	A"	840	809	1.89
20	A"	219	211	0.67
21	A"	69	66	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	1.525	0.945	0.000
C2	0.000	0.723	0.000
O3	-0.198	-0.790	0.000
O4	-1.534	-1.117	0.000
H5	1.734	2.029	0.000
H6	1.983	0.497	0.897
H7	1.983	0.497	-0.897
H8	-0.495	1.110	-0.904
H9	-0.495	1.110	0.904

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5407	2.4444	3.6883	1.1044	1.1021	1.1021	2.2192	2.2192
C2	1.5407		1.5251	2.3950	2.1711	2.1881	2.1881	1.1012	1.1012
O3	2.4444	1.5251		1.3753	3.4173	2.6866	2.6866	2.1245	2.1245
O4	3.6883	2.3950	1.3753		4.5360	3.9722	3.9722	2.6178	2.6178
H5	1.1044	2.1711	3.4173	4.5360		1.7924	1.7924	2.5755	2.5755
H6	1.1021	2.1881	2.6866	3.9722	1.7924		1.7934	3.1243	2.5532
H7	1.1021	2.1881	2.6866	3.9722	1.7924	1.7934		2.5532	3.1243
H8	2.2192	1.1012	2.1245	2.6178	2.5755	3.1243	2.5532		1.8080
H9	2.2192	1.1012	2.1245	2.6178	2.5755	2.5532	3.1243	1.8080

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.750	C1	C2	H8	113.238
C1	C2	H9	113.238	C2	C1	H5	109.225
C2	C1	H6	110.685	C2	C1	H7	110.685
C2	O3	O4	111.219	O3	C2	H8	106.870
O3	C2	H9	106.870	H5	C1	H6	108.646
H5	C1	H7	108.646	H6	C1	H7	108.903
H8	C2	H9	110.358

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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