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	hartrees
Energy at 0K	-189.720324
Energy at 298.15K	-189.724078
HF Energy	-189.250575
Nuclear repulsion energy	75.815437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3021	12.37
2	A'	3151	2916	20.75
3	A'	1563	1447	13.23
4	A'	1532	1418	0.04
5	A'	1295	1198	53.77
6	A'	1258	1164	12.82
7	A'	1021	945	22.34
8	A'	528	488	6.16
9	A"	3248	3006	21.98
10	A"	1549	1433	8.90
11	A"	1214	1123	1.26
12	A"	171	159	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.982	-0.477	0.000
O2	0.000	0.561	0.000
O3	-1.196	0.064	0.000
H4	1.941	0.030	0.000
H5	0.866	-1.084	0.893
H6	0.866	-1.084	-0.893

	C1	O2	O3	H4	H5	H6
C1		1.4296	2.2444	1.0848	1.0859	1.0859
O2	1.4296		1.2950	2.0122	2.0622	2.0622
O3	2.2444	1.2950		3.1369	2.5227	2.5227
H4	1.0848	2.0122	3.1369		1.7877	1.7877
H5	1.0859	2.0622	2.5227	1.7877		1.7865
H6	1.0859	2.0622	2.5227	1.7877	1.7865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	110.831	O2	C1	H4	105.491
O2	C1	H5	109.368	O2	C1	H6	109.368
H4	C1	H5	110.886	H4	C1	H6	110.886
H5	C1	H6	110.696

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

using model chemistry: CISD/6-311G*

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: CISD/6-311G*

States and conformations

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