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	hartrees
Energy at 0K	-225.532654
Energy at 298.15K	-225.538478
HF Energy	-225.364697
Nuclear repulsion energy	120.790564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3563	3107	0.76
2	A'	3383	2949	0.86
3	A'	3362	2931	4.47
4	A'	1731	1509	0.85
5	A'	1704	1486	1.47
6	A'	1613	1406	0.58
7	A'	1522	1327	18.34
8	A'	1405	1225	45.66
9	A'	1264	1102	1.56
10	A'	1160	1011	0.20
11	A'	987	861	1.08
12	A'	520	454	1.91
13	A'	307	268	0.30
14	A"	3566	3109	1.21
15	A"	3476	3030	7.18
16	A"	1718	1498	1.35
17	A"	1397	1218	0.01
18	A"	1236	1078	6.51
19	A"	882	769	0.36
20	A"	205	179	0.31
21	A"	82	71	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	1.534	0.933	0.000
C2	0.000	0.669	0.000
O3	-0.198	-0.812	0.000
O4	-1.549	-1.043	0.000
H5	1.728	2.019	0.000
H6	2.001	0.489	0.896
H7	2.001	0.489	-0.896
H8	-0.478	1.116	-0.901
H9	-0.478	1.116	0.901

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5570	2.4589	3.6620	1.1031	1.1029	1.1029	2.2125	2.2125
C2	1.5570		1.4939	2.3083	2.1931	2.1994	2.1994	1.1135	1.1135
O3	2.4589	1.4939		1.3704	3.4241	2.7077	2.7077	2.1460	2.1460
O4	3.6620	2.3083	1.3704		4.4848	3.9687	3.9687	2.5722	2.5722
H5	1.1031	2.1931	3.4241	4.4848		1.7930	1.7930	2.5486	2.5486
H6	1.1029	2.1994	2.7077	3.9687	1.7930		1.7920	3.1248	2.5564
H7	1.1029	2.1994	2.7077	3.9687	1.7930	1.7920		2.5564	3.1248
H8	2.2125	1.1135	2.1460	2.5722	2.5486	3.1248	2.5564		1.8019
H9	2.2125	1.1135	2.1460	2.5722	2.5486	2.5564	3.1248	1.8019

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.389	C1	C2	H8	110.797
C1	C2	H9	110.797	C2	C1	H5	109.888
C2	C1	H6	110.388	C2	C1	H7	110.388
C2	O3	O4	107.314	O3	C2	H8	109.924
O3	C2	H9	109.924	H5	C1	H6	108.735
H5	C1	H7	108.735	H6	C1	H7	108.662
H8	C2	H9	108.017

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

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

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