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	hartrees
Energy at 0K	-229.006724
Energy at 298.15K	-229.012754
HF Energy	-228.297055
Nuclear repulsion energy	124.715380

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3024	13.44
2	A'	3126	2961	14.43
3	A'	3100	2936	9.25
4	A'	1552	1470	7.13
5	A'	1539	1457	2.82
6	A'	1461	1384	21.81
7	A'	1421	1345	1.60
8	A'	1293	1224	125.21
9	A'	1174	1112	8.81
10	A'	1070	1014	15.63
11	A'	885	838	2.72
12	A'	527	499	11.41
13	A'	319	302	1.69
14	A"	3207	3037	29.14
15	A"	3186	3018	0.34
16	A"	1526	1445	9.34
17	A"	1318	1248	0.29
18	A"	1191	1128	5.36
19	A"	821	777	1.22
20	A"	241	228	0.41
21	A"	75	71	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	1.494	0.892	0.000
C2	0.000	0.677	0.000
O3	-0.219	-0.760	0.000
O4	-1.481	-1.043	0.000
H5	1.713	1.961	0.000
H6	1.948	0.447	0.886
H7	1.948	0.447	-0.886
H8	-0.486	1.077	-0.891
H9	-0.486	1.077	0.891

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5094	2.3802	3.5489	1.0916	1.0907	1.0907	2.1789	2.1789
C2	1.5094		1.4539	2.2695	2.1413	2.1527	2.1527	1.0907	1.0907
O3	2.3802	1.4539		1.2934	3.3380	2.6346	2.6346	2.0592	2.0592
O4	3.5489	2.2695	1.2934		4.3850	3.8428	3.8428	2.5053	2.5053
H5	1.0916	2.1413	3.3380	4.3850		1.7702	1.7702	2.5322	2.5322
H6	1.0907	2.1527	2.6346	3.8428	1.7702		1.7721	3.0789	2.5144
H7	1.0907	2.1527	2.6346	3.8428	1.7702	1.7721		2.5144	3.0789
H8	2.1789	1.0907	2.0592	2.5053	2.5322	3.0789	2.5144		1.7819
H9	2.1789	1.0907	2.0592	2.5053	2.5322	2.5144	3.0789	1.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.860	C1	C2	H8	112.868
C1	C2	H9	112.868	C2	C1	H5	109.781
C2	C1	H6	110.746	C2	C1	H7	110.746
C2	O3	O4	111.265	O3	C2	H8	107.177
O3	C2	H9	107.177	H5	C1	H6	108.421
H5	C1	H7	108.421	H6	C1	H7	108.659
H8	C2	H9	109.535

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G*

States and conformations

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