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	hartrees
Energy at 0K	-228.922309
Energy at 298.15K	-228.928346
HF Energy	-228.260233
Nuclear repulsion energy	124.093792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3039	15.90
2	A'	3098	2964	15.84
3	A'	3083	2949	13.30
4	A'	1519	1453	2.54
5	A'	1503	1438	1.71
6	A'	1438	1376	19.70
7	A'	1392	1332	4.34
8	A'	1224	1171	114.84
9	A'	1165	1115	12.54
10	A'	1080	1033	10.66
11	A'	890	851	2.80
12	A'	527	504	8.44
13	A'	314	300	1.28
14	A"	3181	3043	30.04
15	A"	3154	3018	8.66
16	A"	1485	1421	5.30
17	A"	1289	1233	0.50
18	A"	1174	1123	5.06
19	A"	811	776	0.53
20	A"	239	229	0.52
21	A"	87	83	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	1.503	0.892	0.000
C2	0.000	0.668	0.000
O3	-0.218	-0.763	0.000
O4	-1.494	-1.036	0.000
H5	1.719	1.974	0.000
H6	1.964	0.442	0.896
H7	1.964	0.442	-0.896
H8	-0.484	1.087	-0.898
H9	-0.484	1.087	0.898

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5200	2.3885	3.5642	1.1034	1.1032	1.1032	2.1902	2.1902
C2	1.5200		1.4481	2.2664	2.1588	2.1706	2.1706	1.1035	1.1035
O3	2.3885	1.4481		1.3048	3.3537	2.6492	2.6492	2.0745	2.0745
O4	3.5642	2.2664	1.3048		4.4029	3.8662	3.8662	2.5170	2.5170
H5	1.1034	2.1588	3.3537	4.4029		1.7917	1.7917	2.5394	2.5394
H6	1.1032	2.1706	2.6492	3.8662	1.7917		1.7911	3.1034	2.5324
H7	1.1032	2.1706	2.6492	3.8662	1.7917	1.7911		2.5324	3.1034
H8	2.1902	1.1035	2.0745	2.5170	2.5394	3.1034	2.5324		1.7969
H9	2.1902	1.1035	2.0745	2.5170	2.5394	2.5324	3.1034	1.7969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.140	C1	C2	H8	112.223
C1	C2	H9	112.223	C2	C1	H5	109.735
C2	C1	H6	110.673	C2	C1	H7	110.673
C2	O3	O4	110.722	O3	C2	H8	108.027
O3	C2	H9	108.027	H5	C1	H6	108.580
H5	C1	H7	108.580	H6	C1	H7	108.542
H8	C2	H9	109.016

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

using model chemistry: CCD/cc-pVDZ

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: CCD/cc-pVDZ

States and conformations

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