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	hartrees
Energy at 0K	-228.885442
Energy at 298.15K	-228.891464
HF Energy	-228.254367
Nuclear repulsion energy	124.205177

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3205	3205
2	A'	3116	3116
3	A'	3101	3101
4	A'	1512	1512
5	A'	1501	1501
6	A'	1427	1427
7	A'	1380	1380
8	A'	1223	1223
9	A'	1154	1154
10	A'	1071	1071
11	A'	873	873
12	A'	522	522
13	A'	312	312
14	A"	3211	3211
15	A"	3184	3184
16	A"	1483	1483
17	A"	1284	1284
18	A"	1164	1164
19	A"	810	810
20	A"	251	251
21	A"	78	78

Atom	x (Å)	y (Å)	z (Å)
C1	1.499	0.894	0.000
C2	0.000	0.675	0.000
O3	-0.219	-0.765	0.000
O4	-1.488	-1.041	0.000
H5	1.717	1.973	0.000
H6	1.958	0.444	0.894
H7	1.958	0.444	-0.894
H8	-0.488	1.086	-0.898
H9	-0.488	1.086	0.898

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5149	2.3876	3.5586	1.1014	1.1011	1.1011	2.1887	2.1887
C2	1.5149		1.4560	2.2709	2.1525	2.1649	2.1649	1.1016	1.1016
O3	2.3876	1.4560		1.2989	3.3530	2.6456	2.6456	2.0749	2.0749
O4	3.5586	2.2709	1.2989		4.3993	3.8574	3.8574	2.5163	2.5163
H5	1.1014	2.1525	3.3530	4.3993		1.7878	1.7878	2.5401	2.5401
H6	1.1011	2.1649	2.6456	3.8574	1.7878		1.7885	3.0993	2.5286
H7	1.1011	2.1649	2.6456	3.8574	1.7878	1.7885		2.5286	3.0993
H8	2.1887	1.1016	2.0749	2.5163	2.5401	3.0993	2.5286		1.7961
H9	2.1887	1.1016	2.0749	2.5163	2.5401	2.5286	3.0993	1.7961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.943	C1	C2	H8	112.584
C1	C2	H9	112.584	C2	C1	H5	109.702
C2	C1	H6	110.706	C2	C1	H7	110.706
C2	O3	O4	110.911	O3	C2	H8	107.628
O3	C2	H9	107.628	H5	C1	H6	108.527
H5	C1	H7	108.527	H6	C1	H7	108.613
H8	C2	H9	109.212

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

using model chemistry: ROMP2/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: ROMP2/cc-pVDZ

States and conformations

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