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	hartrees
Energy at 0K	-228.884821
Energy at 298.15K	-228.890840
HF Energy	-228.249756
Nuclear repulsion energy	124.311510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3249	3036	11.93
2	A'	3166	2958	14.26
3	A'	3149	2942	7.96
4	A'	1571	1468	2.60
5	A'	1561	1458	2.14
6	A'	1476	1379	14.91
7	A'	1422	1329	5.13
8	A'	1275	1191	135.38
9	A'	1179	1101	8.22
10	A'	1073	1003	13.77
11	A'	884	826	3.90
12	A'	519	485	10.32
13	A'	315	294	1.33
14	A"	3260	3046	22.98
15	A"	3235	3023	6.10
16	A"	1548	1446	5.55
17	A"	1315	1229	0.03
18	A"	1193	1114	4.46
19	A"	829	775	0.69
20	A"	247	230	0.46
21	A"	71	67	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	1.491	0.900	0.000
C2	0.000	0.678	0.000
O3	-0.208	-0.766	0.000
O4	-1.488	-1.048	0.000
H5	1.703	1.967	0.000
H6	1.944	0.458	0.883
H7	1.944	0.458	-0.883
H8	-0.486	1.077	-0.887
H9	-0.486	1.077	0.887

	C1	C2	O3	O4	H5	H6	H7	H8	H9
C1		1.5077	2.3791	3.5598	1.0874	1.0864	1.0864	2.1741	2.1741
C2	1.5077		1.4588	2.2793	2.1351	2.1465	2.1465	1.0872	1.0872
O3	2.3791	1.4588		1.3115	3.3337	2.6278	2.6278	2.0640	2.0640
O4	3.5598	2.2793	1.3115		4.3898	3.8506	3.8506	2.5117	2.5117
H5	1.0874	2.1351	3.3337	4.3898		1.7648	1.7648	2.5233	2.5233
H6	1.0864	2.1465	2.6278	3.8506	1.7648		1.7664	3.0693	2.5072
H7	1.0864	2.1465	2.6278	3.8506	1.7648	1.7664		2.5072	3.0693
H8	2.1741	1.0872	2.0640	2.5117	2.5233	3.0693	2.5072		1.7745
H9	2.1741	1.0872	2.0640	2.5117	2.5233	2.5072	3.0693	1.7745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.632	C1	C2	H8	112.822
C1	C2	H9	112.822	C2	C1	H5	109.666
C2	C1	H6	110.625	C2	C1	H7	110.625
C2	O3	O4	110.613	O3	C2	H8	107.430
O3	C2	H9	107.430	H5	C1	H6	108.552
H5	C1	H7	108.552	H6	C1	H7	108.764
H8	C2	H9	109.386

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

using model chemistry: MP2=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: MP2=FULL/6-31G**

States and conformations

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