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	hartrees
Energy at 0K	-226.995245
Energy at 298.15K	-227.001284
HF Energy	-226.995245
Nuclear repulsion energy	121.305544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3282	2977	25.14
2	A'	3254	2951	11.72
3	A'	3217	2917	12.04
4	A'	1694	1536	4.86
5	A'	1672	1517	6.10
6	A'	1578	1431	11.65
7	A'	1524	1382	21.09
8	A'	1247	1131	23.30
9	A'	1074	975	32.32
10	A'	966	876	12.55
11	A'	813	737	3.00
12	A'	491	445	5.78
13	A'	305	276	0.69
14	A"	3314	3006	46.39
15	A"	3284	2978	0.36
16	A"	1656	1502	6.56
17	A"	1411	1280	0.15
18	A"	1276	1158	7.07
19	A"	915	830	1.17
20	A"	243	220	0.95
21	A"	101	92	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	1.504	0.931	0.000
C2	0.000	0.682	0.000
O3	-0.156	-0.777	0.000
O4	-1.555	-1.074	0.000
H5	1.704	1.995	0.000
H6	1.954	0.488	0.879
H7	1.954	0.488	-0.879
H8	-0.475	1.081	-0.883
H9	-0.475	1.081	0.883

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5244	2.3815	3.6576	1.0834	1.0818	1.0818	2.1718	2.1718
C2	1.5244		1.4680	2.3460	2.1512	2.1510	2.1510	1.0787	1.0787
O3	2.3815	1.4680		1.4308	3.3386	2.6121	2.6121	2.0822	2.0822
O4	3.6576	2.3460	1.4308		4.4771	3.9402	3.9402	2.5676	2.5676
H5	1.0834	2.1512	3.3386	4.4771		1.7625	1.7625	2.5221	2.5221
H6	1.0818	2.1510	2.6121	3.9402	1.7625		1.7580	3.0579	2.4995
H7	1.0818	2.1510	2.6121	3.9402	1.7625	1.7580		2.4995	3.0579
H8	2.1718	1.0787	2.0822	2.5676	2.5221	3.0579	2.4995		1.7655
H9	2.1718	1.0787	2.0822	2.5676	2.5221	2.4995	3.0579	1.7655

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

using model chemistry: ROHF/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: ROHF/3-21G

States and conformations

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