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	hartrees
Energy at 0K	-190.153790
Energy at 298.15K	-190.157414
HF Energy	-190.153790
Nuclear repulsion energy	74.974907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3062	7.21
2	A'	3070	2948	14.74
3	A'	1484	1425	11.75
4	A'	1443	1385	0.95
5	A'	1239	1190	10.44
6	A'	1174	1127	0.22
7	A'	936	899	12.90
8	A'	495	475	6.04
9	A"	3175	3048	10.12
10	A"	1472	1414	10.79
11	A"	1126	1081	0.42
12	A"	134	129	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.998	-0.478	0.000
O2	0.000	0.564	0.000
O3	-1.213	0.062	0.000
H4	1.959	0.039	0.000
H5	0.880	-1.087	0.899
H6	0.880	-1.087	-0.899

	C1	O2	O3	H4	H5	H6
C1		1.4432	2.2769	1.0912	1.0921	1.0921
O2	1.4432		1.3131	2.0277	2.0754	2.0754
O3	2.2769	1.3131		3.1723	2.5514	2.5514
H4	1.0912	2.0277	3.1723		1.8006	1.8006
H5	1.0921	2.0754	2.5514	1.8006		1.7976
H6	1.0921	2.0754	2.5514	1.8006	1.7976

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	111.304	O2	C1	H4	105.428
O2	C1	H5	109.108	O2	C1	H6	109.108
H4	C1	H5	111.125	H4	C1	H6	111.125
H5	C1	H6	110.774

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

using model chemistry: B3PW91/6-31+G**

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	-0.309
2	O	-0.044
3	O	-0.193
4	H	0.176
5	H	0.184
6	H	0.184

	x	y	z	Total
	2.666	-1.231	0.000	2.937
CHELPG
AIM
ESP

	x	y	z
x	4.623	-0.020	0.000
y	-0.020	2.938	0.000
z	0.000	0.000	2.659

<r²>	42.102
(<r²>)^1/2	6.489

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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