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	hartrees
Energy at 0K	-227.389880
Energy at 298.15K	-227.395871
HF Energy	-226.993497
Nuclear repulsion energy	120.796892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3035	13.76
2	A'	3122	2980	13.28
3	A'	3105	2964	7.20
4	A'	1613	1540	2.11
5	A'	1603	1530	5.55
6	A'	1500	1432	3.05
7	A'	1470	1403	42.19
8	A'	1396	1333	94.12
9	A'	1171	1117	6.18
10	A'	1018	972	11.41
11	A'	859	820	3.45
12	A'	483	461	8.31
13	A'	295	281	0.73
14	A"	3196	3051	31.62
15	A"	3172	3028	4.94
16	A"	1590	1517	6.08
17	A"	1334	1274	0.49
18	A"	1192	1138	4.01
19	A"	863	824	1.54
20	A"	240	229	0.64
21	A"	81	77	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	1.514	0.929	0.000
C2	0.000	0.699	0.000
O3	-0.173	-0.798	0.000
O4	-1.548	-1.068	0.000
H5	1.729	2.002	0.000
H6	1.960	0.476	0.889
H7	1.960	0.476	-0.889
H8	-0.482	1.101	-0.894
H9	-0.482	1.101	0.894

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5313	2.4143	3.6551	1.0944	1.0929	1.0929	2.1934	2.1934
C2	1.5313		1.5062	2.3482	2.1654	2.1634	2.1634	1.0920	1.0920
O3	2.4143	1.5062		1.4006	3.3850	2.6384	2.6384	2.1206	2.1206
O4	3.6551	2.3482	1.4006		4.4899	3.9336	3.9336	2.5758	2.5758
H5	1.0944	2.1654	3.3850	4.4899		1.7814	1.7814	2.5494	2.5494
H6	1.0929	2.1634	2.6384	3.9336	1.7814		1.7775	3.0869	2.5204
H7	1.0929	2.1634	2.6384	3.9336	1.7814	1.7775		2.5204	3.0869
H8	2.1934	1.0920	2.1206	2.5758	2.5494	3.0869	2.5204		1.7872
H9	2.1934	1.0920	2.1206	2.5758	2.5494	2.5204	3.0869	1.7872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.272	C1	C2	H8	112.387
C1	C2	H9	112.387	C2	C1	H5	109.997
C2	C1	H6	109.928	C2	C1	H7	109.928
C2	O3	O4	107.717	O3	C2	H8	108.356
O3	C2	H9	108.356	H5	C1	H6	109.070
H5	C1	H7	109.070	H6	C1	H7	108.823
H8	C2	H9	109.837

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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