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	hartrees
Energy at 0K	-189.692319
Energy at 298.15K	-189.695972
HF Energy	-189.206299
Nuclear repulsion energy	75.108080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3290	3074	7.60
2	A'	3158	2951	17.81
3	A'	1554	1452	9.60
4	A'	1501	1402	0.21
5	A'	1275	1191	101.37
6	A'	1220	1140	0.63
7	A'	968	905	16.80
8	A'	506	472	6.75
9	A"	3280	3064	12.95
10	A"	1542	1441	5.43
11	A"	1170	1093	0.95
12	A"	133	124	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.993	-0.482	0.000
O2	0.000	0.573	0.000
O3	-1.206	0.056	0.000
H4	1.949	0.029	0.000
H5	0.870	-1.085	0.893
H6	0.870	-1.085	-0.893

	C1	O2	O3	H4	H5	H6
C1		1.4485	2.2636	1.0840	1.0846	1.0846
O2	1.4485		1.3117	2.0238	2.0741	2.0741
O3	2.2636	1.3117		3.1551	2.5313	2.5313
H4	1.0840	2.0238	3.1551		1.7896	1.7896
H5	1.0846	2.0741	2.5313	1.7896		1.7863
H6	1.0846	2.0741	2.5313	1.7896	1.7863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	110.084	O2	C1	H4	105.177
O2	C1	H5	109.079	O2	C1	H6	109.079
H4	C1	H5	111.222	H4	C1	H6	111.222
H5	C1	H6	110.866

All results from a given calculation for CH₃OO (methylperoxy 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 CH3OO (methylperoxy radical)

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

States and conformations

All results from a given calculation for CH₃OO (methylperoxy radical)