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	hartrees
Energy at 0K	-186.897428
Energy at 298.15K	-186.901029
HF Energy	-186.781490
Nuclear repulsion energy	72.777668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3543	3089	0.75
2	A'	3339	2912	2.31
3	A'	1701	1483	3.54
4	A'	1609	1403	1.34
5	A'	1411	1230	37.30
6	A'	1264	1102	0.51
7	A'	1073	936	0.28
8	A'	500	436	1.27
9	A"	3512	3062	4.53
10	A"	1685	1470	2.19
11	A"	1192	1039	2.14
12	A"	155	135	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	1.011	-0.478	0.000
O2	0.000	0.614	0.000
O3	-1.237	0.022	0.000
H4	2.003	0.014	0.000
H5	0.915	-1.116	0.904
H6	0.915	-1.116	-0.904

	C1	O2	O3	H4	H5	H6
C1		1.4882	2.3024	1.1072	1.1104	1.1104
O2	1.4882		1.3715	2.0906	2.1559	2.1559
O3	2.3024	1.3715		3.2395	2.5965	2.5965
H4	1.1072	2.0906	3.2395		1.8100	1.8100
H5	1.1104	2.1559	2.5965	1.8100		1.8077
H6	1.1104	2.1559	2.5965	1.8100	1.8077

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	107.176	O2	C1	H4	106.396
O2	C1	H5	111.298	O2	C1	H6	111.298
H4	C1	H5	109.413	H4	C1	H6	109.413
H5	C1	H6	108.973

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

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

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