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	hartrees
Energy at 0K	-228.887529
Energy at 298.15K	-228.893469
HF Energy	-228.240478
Nuclear repulsion energy	123.396577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3159	3017
2	A'	3091	2951
3	A'	3075	2936
4	A'	1553	1482
5	A'	1541	1471
6	A'	1462	1396
7	A'	1405	1341
8	A'	1223	1168
9	A'	1164	1111
10	A'	1056	1008
11	A'	866	827
12	A'	510	487
13	A'	308	294
14	A"	3171	3028
15	A"	3148	3005
16	A"	1531	1462
17	A"	1297	1238
18	A"	1181	1128
19	A"	819	782
20	A"	224	213
21	A"	71	68

Atom	x (Å)	y (Å)	z (Å)
C1	1.499	0.907	0.000
C2	0.000	0.681	0.000
O3	-0.204	-0.771	0.000
O4	-1.500	-1.054	0.000
H5	1.710	1.984	0.000
H6	1.957	0.463	0.891
H7	1.957	0.463	-0.891
H8	-0.491	1.081	-0.895
H9	-0.491	1.081	0.895

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5156	2.3910	3.5833	1.0969	1.0960	1.0960	2.1887	2.1887
C2	1.5156		1.4668	2.2939	2.1498	2.1612	2.1612	1.0962	1.0962
O3	2.3910	1.4668		1.3266	3.3548	2.6430	2.6430	2.0773	2.0773
O4	3.5833	2.2939	1.3266		4.4198	3.8788	3.8788	2.5255	2.5255
H5	1.0969	2.1498	3.3548	4.4198		1.7799	1.7799	2.5420	2.5420
H6	1.0960	2.1612	2.6430	3.8788	1.7799		1.7814	3.0926	2.5253
H7	1.0960	2.1612	2.6430	3.8788	1.7799	1.7814		2.5253	3.0926
H8	2.1887	1.0962	2.0773	2.5255	2.5420	3.0926	2.5253		1.7890
H9	2.1887	1.0962	2.0773	2.5255	2.5420	2.5253	3.0926	1.7890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.574	C1	C2	H8	112.876
C1	C2	H9	112.876	C2	C1	H5	109.707
C2	C1	H6	110.667	C2	C1	H7	110.667
C2	O3	O4	110.300	O3	C2	H8	107.406
O3	C2	H9	107.406	H5	C1	H6	108.513
H5	C1	H7	108.513	H6	C1	H7	108.715
H8	C2	H9	109.374

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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