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	hartrees
Energy at 0K	-228.978306
Energy at 298.15K	-228.984331
HF Energy	-228.295922
Nuclear repulsion energy	123.817673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3134	3000	20.53
2	A'	3080	2949	15.08
3	A'	3055	2925	12.72
4	A'	1543	1477	5.60
5	A'	1528	1463	2.54
6	A'	1458	1396	24.73
7	A'	1412	1352	7.50
8	A'	1173	1123	9.00
9	A'	1149	1100	18.94
10	A'	1064	1018	13.96
11	A'	884	846	2.80
12	A'	518	496	9.20
13	A'	316	302	1.60
14	A"	3147	3013	40.69
15	A"	3126	2993	0.17
16	A"	1515	1451	7.90
17	A"	1308	1252	0.42
18	A"	1188	1137	5.32
19	A"	816	781	0.73
20	A"	234	224	0.46
21	A"	94	90	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	1.498	0.906	0.000
C2	0.000	0.671	0.000
O3	-0.205	-0.766	0.000
O4	-1.498	-1.049	0.000
H5	1.704	1.982	0.000
H6	1.960	0.465	0.889
H7	1.960	0.465	-0.889
H8	-0.491	1.071	-0.893
H9	-0.491	1.071	0.893

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5161	2.3865	3.5773	1.0955	1.0948	1.0948	2.1863	2.1863
C2	1.5161		1.4511	2.2808	2.1502	2.1621	2.1621	1.0947	1.0947
O3	2.3865	1.4511		1.3233	3.3460	2.6448	2.6448	2.0620	2.0620
O4	3.5773	2.2808	1.3233		4.4092	3.8784	3.8784	2.5110	2.5110
H5	1.0955	2.1502	3.3460	4.4092		1.7766	1.7766	2.5390	2.5390
H6	1.0948	2.1621	2.6448	3.8784	1.7766		1.7781	3.0904	2.5251
H7	1.0948	2.1621	2.6448	3.8784	1.7766	1.7781		2.5251	3.0904
H8	2.1863	1.0947	2.0620	2.5110	2.5390	3.0904	2.5251		1.7853
H9	2.1863	1.0947	2.0620	2.5110	2.5390	2.5251	3.0904	1.7853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.065	C1	C2	H8	112.741
C1	C2	H9	112.741	C2	C1	H5	109.790
C2	C1	H6	110.778	C2	C1	H7	110.778
C2	O3	O4	110.503	O3	C2	H8	107.361
O3	C2	H9	107.361	H5	C1	H6	108.413
H5	C1	H7	108.413	H6	C1	H7	108.599
H8	C2	H9	109.266

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

using model chemistry: QCISD/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: QCISD/6-311G*

States and conformations

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