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	hartrees
Energy at 0K	-186.898008
Energy at 298.15K	-186.901610
HF Energy	-186.781506
Nuclear repulsion energy	72.782283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3544	3150	0.75
2	A'	3340	2969	2.31
3	A'	1702	1513	3.54
4	A'	1609	1430	1.34
5	A'	1411	1254	37.33
6	A'	1264	1124	0.51
7	A'	1074	954	0.28
8	A'	500	445	1.27
9	A"	3513	3122	4.52
10	A"	1686	1498	2.19
11	A"	1192	1059	2.13
12	A"	155	138	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	1.010	-0.478	0.000
O2	0.000	0.614	0.000
O3	-1.237	0.022	0.000
H4	2.002	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		1.4880	2.3023	1.1071	1.1103	1.1103
O2	1.4880		1.3715	2.0905	2.1558	2.1558
O3	2.3023	1.3715		3.2393	2.5965	2.5965
H4	1.1071	2.0905	3.2393		1.8098	1.8098
H5	1.1103	2.1558	2.5965	1.8098		1.8075
H6	1.1103	2.1558	2.5965	1.8098	1.8075

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	107.179	O2	C1	H4	106.399
O2	C1	H5	111.302	O2	C1	H6	111.302
H4	C1	H5	109.409	H4	C1	H6	109.409
H5	C1	H6	108.969

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

using model chemistry: MP2=FULL/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=FULL/STO-3G

States and conformations

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