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	hartrees
Energy at 0K	-189.475555
Energy at 298.15K	-189.479114
HF Energy	-189.173113
Nuclear repulsion energy	72.167883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3216	3104	13.31
2	A'	3063	2957	25.53
3	A'	1530	1477	16.25
4	A'	1485	1434	19.75
5	A'	1379	1332	119.44
6	A'	1171	1130	0.12
7	A'	867	837	18.18
8	A'	457	442	4.55
9	A"	3198	3087	26.73
10	A"	1513	1461	10.11
11	A"	1133	1094	0.36
12	A"	119	115	1.40

Atom	x (Å)	y (Å)	z (Å)
C1	1.047	-0.499	0.000
O2	0.000	0.590	0.000
O3	-1.267	0.054	0.000
H4	1.997	0.050	0.000
H5	0.927	-1.106	0.908
H6	0.927	-1.106	-0.908

	C1	O2	O3	H4	H5	H6
C1		1.5110	2.3796	1.0972	1.0985	1.0985
O2	1.5110		1.3755	2.0691	2.1351	2.1351
O3	2.3796	1.3755		3.2643	2.6423	2.6423
H4	1.0972	2.0691	3.2643		1.8184	1.8184
H5	1.0985	2.1351	2.6423	1.8184		1.8154
H6	1.0985	2.1351	2.6423	1.8184	1.8154

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	110.972	O2	C1	H4	103.858
O2	C1	H5	108.777	O2	C1	H6	108.777
H4	C1	H5	111.819	H4	C1	H6	111.819
H5	C1	H6	111.437

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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