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	hartrees
Energy at 0K	-189.121923
Energy at 298.15K	-189.125625
Nuclear repulsion energy	73.626052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3356	3005	10.23
2	A'	3240	2900	20.20
3	A'	1658	1485	10.70
4	A'	1606	1438	1.13
5	A'	1307	1170	0.09
6	A'	1119	1002	62.75
7	A'	927	830	14.39
8	A'	489	438	2.72
9	A"	3336	2987	28.70
10	A"	1640	1468	10.08
11	A"	1270	1137	1.77
12	A"	171	153	3.09

Atom	x (Å)	y (Å)	z (Å)
C1	1.030	-0.444	0.000
O2	0.000	0.572	0.000
O3	-1.253	0.010	0.000
H4	1.956	0.105	0.000
H5	0.945	-1.051	0.887
H6	0.945	-1.051	-0.887

	C1	O2	O3	H4	H5	H6
C1		1.4466	2.3273	1.0766	1.0781	1.0781
O2	1.4466		1.3734	2.0110	2.0772	2.0772
O3	2.3273	1.3734		3.2104	2.5971	2.5971
H4	1.0766	2.0110	3.2104		1.7729	1.7729
H5	1.0781	2.0772	2.5971	1.7729		1.7743
H6	1.0781	2.0772	2.5971	1.7729	1.7743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	111.207	O2	C1	H4	104.735
O2	C1	H5	109.858	O2	C1	H6	109.858
H4	C1	H5	110.737	H4	C1	H6	110.737
H5	C1	H6	110.753

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	-0.127
2	O	-0.406
3	O	-0.029
4	H	0.198
5	H	0.182
6	H	0.182

	x	y	z	Total
	2.219	-1.814	0.000	2.865
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)