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	hartrees
Energy at 0K	-229.366233
Energy at 298.15K	-229.360252
HF Energy	-228.242706
Nuclear repulsion energy	125.273599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3098	37.47
2	A'	3249	3061	21.44
3	A'	3219	3033	19.02
4	A'	1672	1575	2.61
5	A'	1644	1549	2.01
6	A'	1580	1489	22.91
7	A'	1536	1447	9.72
8	A'	1282	1208	87.65
9	A'	1265	1192	17.92
10	A'	1127	1062	17.00
11	A'	963	907	7.23
12	A'	551	519	7.46
13	A'	337	317	1.05
14	A"	3310	3118	68.88
15	A"	3285	3095	0.01
16	A"	1629	1535	4.20
17	A"	1410	1328	0.67
18	A"	1291	1216	5.97
19	A"	881	830	0.12
20	A"	259	244	0.71
21	A"	103	97	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	1.494	0.898	0.000
C2	0.000	0.681	0.000
O3	-0.209	-0.765	0.000
O4	-1.490	-1.047	0.000
H5	1.711	1.968	0.000
H6	1.947	0.452	0.887
H7	1.947	0.452	-0.887
H8	-0.488	1.080	-0.891
H9	-0.488	1.080	0.891

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5093	2.3801	3.5611	1.0927	1.0915	1.0915	2.1806	2.1806
C2	1.5093		1.4609	2.2812	2.1415	2.1521	2.1521	1.0917	1.0917
O3	2.3801	1.4609		1.3111	3.3407	2.6306	2.6306	2.0679	2.0679
O4	3.5611	2.2812	1.3111		4.3974	3.8533	3.8533	2.5140	2.5140
H5	1.0927	2.1415	3.3407	4.3974		1.7727	1.7727	2.5338	2.5338
H6	1.0915	2.1521	2.6306	3.8533	1.7727		1.7742	3.0803	2.5152
H7	1.0915	2.1521	2.6306	3.8533	1.7727	1.7742		2.5152	3.0803
H8	2.1806	1.0917	2.0679	2.5140	2.5338	3.0803	2.5152		1.7823
H9	2.1806	1.0917	2.0679	2.5140	2.5338	2.5152	3.0803	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.100	C1	C2	H8	111.932
C1	C2	H9	111.932	C2	C1	H5	109.816
C2	C1	H6	110.763	C2	C1	H7	110.763
C2	O3	O4	111.220	O3	C2	H8	108.405
O3	C2	H9	108.405	H5	C1	H6	108.470
H5	C1	H7	108.470	H6	C1	H7	108.492
H8	C2	H9	108.935

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

using model chemistry: G3

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: G3

States and conformations

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