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	hartrees
Energy at 0K	-228.535868
Energy at 298.15K	-228.541859
HF Energy	-228.149544
Nuclear repulsion energy	121.422784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	2990	22.19
2	A'	3142	2947	11.99
3	A'	3112	2918	13.84
4	A'	1604	1504	4.06
5	A'	1588	1489	5.71
6	A'	1518	1423	12.35
7	A'	1460	1369	15.01
8	A'	1193	1119	7.79
9	A'	1113	1044	89.48
10	A'	1064	998	6.81
11	A'	865	811	7.73
12	A'	499	468	7.84
13	A'	306	287	1.02
14	A"	3212	3012	42.73
15	A"	3189	2991	0.17
16	A"	1576	1478	6.93
17	A"	1340	1257	0.02
18	A"	1221	1145	6.23
19	A"	863	810	0.95
20	A"	234	219	0.85
21	A"	80	75	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	1.505	0.937	0.000
C2	0.000	0.702	0.000
O3	-0.185	-0.774	0.000
O4	-1.525	-1.105	0.000
H5	1.712	2.012	0.000
H6	1.963	0.494	0.888
H7	1.963	0.494	-0.888
H8	-0.490	1.097	-0.892
H9	-0.490	1.097	0.892

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5228	2.4053	3.6538	1.0948	1.0932	1.0932	2.1910	2.1910
C2	1.5228		1.4882	2.3648	2.1554	2.1646	2.1646	1.0918	1.0918
O3	2.4053	1.4882		1.3801	3.3710	2.6482	2.6482	2.0952	2.0952
O4	3.6538	2.3648	1.3801		4.4938	3.9387	3.9387	2.5913	2.5913
H5	1.0948	2.1554	3.3710	4.4938		1.7768	1.7768	2.5460	2.5460
H6	1.0932	2.1646	2.6482	3.9387	1.7768		1.7754	3.0904	2.5263
H7	1.0932	2.1646	2.6482	3.9387	1.7768	1.7754		2.5263	3.0904
H8	2.1910	1.0918	2.0952	2.5913	2.5460	3.0904	2.5263		1.7846
H9	2.1910	1.0918	2.0952	2.5913	2.5460	2.5263	3.0904	1.7846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.035	C1	C2	H8	112.819
C1	C2	H9	112.819	C2	C1	H5	109.780
C2	C1	H6	110.606	C2	C1	H7	110.606
C2	O3	O4	111.016	O3	C2	H8	107.607
O3	C2	H9	107.607	H5	C1	H6	108.599
H5	C1	H7	108.599	H6	C1	H7	108.595
H8	C2	H9	109.630

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

using model chemistry: CISD/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: CISD/6-31G

States and conformations

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