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	hartrees
Energy at 0K	-189.201161
Energy at 298.15K	-189.204962
Nuclear repulsion energy	75.868556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3318	2836	22.09
2	A'	3213	2746	29.56
3	A'	1632	1395	8.63
4	A'	1599	1366	2.63
5	A'	1338	1144	9.43
6	A'	1278	1092	58.84
7	A'	1062	907	31.10
8	A'	534	456	4.12
9	A"	3300	2820	38.62
10	A"	1613	1379	4.74
11	A"	1274	1089	2.68
12	A"	187	160	1.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.982	-0.460	0.000
O2	0.000	0.560	0.000
O3	-1.200	0.046	0.000
H4	1.934	0.053	0.000
H5	0.886	-1.070	0.888
H6	0.886	-1.070	-0.888

	C1	O2	O3	H4	H5	H6
C1		1.4156	2.2398	1.0805	1.0820	1.0820
O2	1.4156		1.3053	1.9989	2.0568	2.0568
O3	2.2398	1.3053		3.1334	2.5266	2.5266
H4	1.0805	1.9989	3.1334		1.7743	1.7743
H5	1.0820	2.0568	2.5266	1.7743		1.7756
H6	1.0820	2.0568	2.5266	1.7743	1.7756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	110.751	O2	C1	H4	105.633
O2	C1	H5	110.161	O2	C1	H6	110.161
H4	C1	H5	110.260	H4	C1	H6	110.260
H5	C1	H6	110.272

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

using model chemistry: ROHF/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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Number	Element	Mulliken
1	C	-0.022
2	O	-0.311
3	O	-0.071
4	H	0.140
5	H	0.132
6	H	0.132

	x	y	z	Total
	1.971	-1.369	0.000	2.400
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: ROHF/6-31G**

States and conformations

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