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	hartrees
Energy at 0K	-227.391325
Energy at 298.15K	-227.397265
HF Energy	-226.990759
Nuclear repulsion energy	120.172514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3178	3178
2	A'	3121	3121
3	A'	3104	3104
4	A'	1615	1615
5	A'	1603	1603
6	A'	1498	1498
7	A'	1425	1425
8	A'	1169	1169
9	A'	1024	1024
10	A'	994	994
11	A'	852	852
12	A'	473	473
13	A'	291	291
14	A"	3196	3196
15	A"	3171	3171
16	A"	1590	1590
17	A"	1335	1335
18	A"	1194	1194
19	A"	864	864
20	A"	239	239
21	A"	84	84

Atom	x (Å)	y (Å)	z (Å)
C1	1.513	0.939	0.000
C2	0.000	0.695	0.000
O3	-0.157	-0.802	0.000
O4	-1.563	-1.072	0.000
H5	1.716	2.015	0.000
H6	1.964	0.491	0.889
H7	1.964	0.491	-0.889
H8	-0.482	1.097	-0.893
H9	-0.482	1.097	0.893

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5323	2.4121	3.6745	1.0946	1.0928	1.0928	2.1915	2.1915
C2	1.5323		1.5049	2.3585	2.1650	2.1650	2.1650	1.0920	1.0920
O3	2.4121	1.5049		1.4319	3.3825	2.6379	2.6379	2.1241	2.1241
O4	3.6745	2.3585	1.4319		4.5029	3.9584	3.9584	2.5826	2.5826
H5	1.0946	2.1650	3.3825	4.5029		1.7811	1.7811	2.5439	2.5439
H6	1.0928	2.1650	2.6379	3.9584	1.7811		1.7782	3.0864	2.5198
H7	1.0928	2.1650	2.6379	3.9584	1.7811	1.7782		2.5198	3.0864
H8	2.1915	1.0920	2.1241	2.5826	2.5439	3.0864	2.5198		1.7864
H9	2.1915	1.0920	2.1241	2.5826	2.5439	2.5198	3.0864	1.7864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.154	C1	C2	H8	112.156
C1	C2	H9	112.156	C2	C1	H5	109.883
C2	C1	H6	109.995	C2	C1	H7	109.995
C2	O3	O4	106.824	O3	C2	H8	108.712
O3	C2	H9	108.712	H5	C1	H6	109.025
H5	C1	H7	109.025	H6	C1	H7	108.892
H8	C2	H9	109.751

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

using model chemistry: ROMP2/3-21G

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: ROMP2/3-21G

States and conformations

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