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	hartrees
Energy at 0K	-228.899584
Energy at 298.15K	-228.905584
HF Energy	-228.255119
Nuclear repulsion energy	124.114345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3236	3039	12.03
2	A'	3166	2974	13.66
3	A'	3137	2946	9.98
4	A'	1557	1463	4.34
5	A'	1548	1454	2.96
6	A'	1467	1378	17.36
7	A'	1414	1328	5.35
8	A'	1270	1193	149.09
9	A'	1170	1099	7.01
10	A'	1062	998	17.33
11	A'	872	819	5.90
12	A'	514	483	11.15
13	A'	315	296	1.51
14	A"	3253	3055	23.38
15	A"	3234	3037	0.20
16	A"	1533	1440	7.58
17	A"	1306	1227	0.14
18	A"	1182	1110	4.19
19	A"	826	776	0.48
20	A"	244	229	0.44
21	A"	68	64	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	1.491	0.905	0.000
C2	0.000	0.684	0.000
O3	-0.208	-0.766	0.000
O4	-1.487	-1.058	0.000
H5	1.698	1.973	0.000
H6	1.946	0.466	0.885
H7	1.946	0.466	-0.885
H8	-0.488	1.074	-0.890
H9	-0.488	1.074	0.890

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5075	2.3833	3.5668	1.0883	1.0871	1.0871	2.1764	2.1764
C2	1.5075		1.4651	2.2902	2.1316	2.1487	2.1487	1.0870	1.0870
O3	2.3833	1.4651		1.3117	3.3372	2.6346	2.6346	2.0630	2.0630
O4	3.5668	2.2902	1.3117		4.3965	3.8588	3.8588	2.5168	2.5168
H5	1.0883	2.1316	3.3372	4.3965		1.7653	1.7653	2.5251	2.5251
H6	1.0871	2.1487	2.6346	3.8588	1.7653		1.7695	3.0726	2.5083
H7	1.0871	2.1487	2.6346	3.8588	1.7653	1.7695		2.5083	3.0726
H8	2.1764	1.0870	2.0630	2.5168	2.5251	3.0726	2.5083		1.7797
H9	2.1764	1.0870	2.0630	2.5168	2.5251	2.5083	3.0726	1.7797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.585	C1	C2	H8	113.035
C1	C2	H9	113.035	C2	C1	H5	109.341
C2	C1	H6	110.770	C2	C1	H7	110.770
C2	O3	O4	111.007	O3	C2	H8	106.933
O3	C2	H9	106.933	H5	C1	H6	108.477
H5	C1	H7	108.477	H6	C1	H7	108.944
H8	C2	H9	109.893

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

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

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