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	hartrees
Energy at 0K	-229.016292
Energy at 298.15K	-229.022317
HF Energy	-228.303462
Nuclear repulsion energy	123.812437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	3004	20.16
2	A'	3092	2950	14.94
3	A'	3068	2927	12.27
4	A'	1536	1465	3.94
5	A'	1522	1452	1.64
6	A'	1452	1386	23.21
7	A'	1408	1343	8.01
8	A'	1170	1116	7.86
9	A'	1148	1095	19.44
10	A'	1064	1015	12.86
11	A'	885	844	3.50
12	A'	516	493	8.37
13	A'	314	299	1.64
14	A"	3160	3015	39.40
15	A"	3138	2994	0.87
16	A"	1505	1436	5.59
17	A"	1304	1244	0.74
18	A"	1184	1130	5.18
19	A"	818	781	0.29
20	A"	235	224	0.50
21	A"	89	85	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	1.500	0.905	0.000
C2	0.000	0.670	0.000
O3	-0.206	-0.765	0.000
O4	-1.499	-1.048	0.000
H5	1.701	1.981	0.000
H6	1.959	0.463	0.890
H7	1.959	0.463	-0.890
H8	-0.487	1.074	-0.893
H9	-0.487	1.074	0.893

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5179	2.3873	3.5786	1.0951	1.0944	1.0944	2.1842	2.1842
C2	1.5179		1.4499	2.2798	2.1480	2.1615	2.1615	1.0941	1.0941
O3	2.3873	1.4499		1.3238	3.3440	2.6437	2.6437	2.0638	2.0638
O4	3.5786	2.2798	1.3238		4.4066	3.8775	3.8775	2.5147	2.5147
H5	1.0951	2.1480	3.3440	4.4066		1.7783	1.7783	2.5312	2.5312
H6	1.0944	2.1615	2.6437	3.8775	1.7783		1.7796	3.0873	2.5207
H7	1.0944	2.1615	2.6437	3.8775	1.7783	1.7796		2.5207	3.0873
H8	2.1842	1.0941	2.0638	2.5147	2.5312	3.0873	2.5207		1.7853
H9	2.1842	1.0941	2.0638	2.5147	2.5312	2.5207	3.0873	1.7853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.080	C1	C2	H8	112.473
C1	C2	H9	112.473	C2	C1	H5	109.518
C2	C1	H6	110.621	C2	C1	H7	110.621
C2	O3	O4	110.477	O3	C2	H8	107.606
O3	C2	H9	107.606	H5	C1	H6	108.619
H5	C1	H7	108.619	H6	C1	H7	108.792
H8	C2	H9	109.346

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

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

States and conformations

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