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	hartrees
Energy at 0K	-228.905877
Energy at 298.15K	-228.911847
HF Energy	-228.240072
Nuclear repulsion energy	123.223432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3149	3057
2	A'	3085	2994
3	A'	3069	2979
4	A'	1551	1506
5	A'	1540	1495
6	A'	1462	1419
7	A'	1402	1361
8	A'	1172	1138
9	A'	1151	1117
10	A'	1058	1027
11	A'	873	847
12	A'	509	494
13	A'	308	299
14	A"	3161	3069
15	A"	3137	3045
16	A"	1529	1484
17	A"	1304	1266
18	A"	1186	1151
19	A"	822	797
20	A"	225	218
21	A"	89	86

Atom	x (Å)	y (Å)	z (Å)
C1	1.496	0.914	0.000
C2	0.000	0.676	0.000
O3	-0.196	-0.772	0.000
O4	-1.505	-1.057	0.000
H5	1.699	1.992	0.000
H6	1.959	0.473	0.891
H7	1.959	0.473	-0.891
H8	-0.494	1.074	-0.894
H9	-0.494	1.074	0.894

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5153	2.3887	3.5905	1.0970	1.0961	1.0961	2.1878	2.1878
C2	1.5153		1.4607	2.2948	2.1494	2.1614	2.1614	1.0963	1.0963
O3	2.3887	1.4607		1.3396	3.3512	2.6433	2.6433	2.0726	2.0726
O4	3.5905	2.2948	1.3396		4.4228	3.8901	3.8901	2.5222	2.5222
H5	1.0970	2.1494	3.3512	4.4228		1.7798	1.7798	2.5400	2.5400
H6	1.0961	2.1614	2.6433	3.8901	1.7798		1.7814	3.0924	2.5256
H7	1.0961	2.1614	2.6433	3.8901	1.7798	1.7814		2.5256	3.0924
H8	2.1878	1.0963	2.0726	2.5222	2.5400	3.0924	2.5256		1.7875
H9	2.1878	1.0963	2.0726	2.5222	2.5400	2.5256	3.0924	1.7875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.755	C1	C2	H8	112.826
C1	C2	H9	112.826	C2	C1	H5	109.699
C2	C1	H6	110.701	C2	C1	H7	110.701
C2	O3	O4	109.987	O3	C2	H8	107.445
O3	C2	H9	107.445	H5	C1	H6	108.490
H5	C1	H7	108.490	H6	C1	H7	108.698
H8	C2	H9	109.233

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/6-31G*

States and conformations

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