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	hartrees
Energy at 0K	-189.704858
Energy at 298.15K	-189.708543
HF Energy	-189.199770
Nuclear repulsion energy	74.249716

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3191	3070
2	A'	3081	2964
3	A'	1527	1470
4	A'	1475	1419
5	A'	1216	1170
6	A'	1143	1100
7	A'	944	908
8	A'	493	475
9	A"	3183	3062
10	A"	1518	1460
11	A"	1159	1115
12	A"	176	170

Atom	x (Å)	y (Å)	z (Å)
C1	1.006	-0.466	0.000
O2	0.000	0.582	0.000
O3	-1.222	0.029	0.000
H4	1.966	0.058	0.000
H5	0.886	-1.075	0.901
H6	0.886	-1.075	-0.901

	C1	O2	O3	H4	H5	H6
C1		1.4528	2.2820	1.0940	1.0941	1.0941
O2	1.4528		1.3412	2.0346	2.0845	2.0845
O3	2.2820	1.3412		3.1879	2.5449	2.5449
H4	1.0940	2.0346	3.1879		1.8061	1.8061
H5	1.0941	2.0845	2.5449	1.8061		1.8017
H6	1.0941	2.0845	2.5449	1.8061	1.8017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	109.459	O2	C1	H4	105.178
O2	C1	H5	109.045	O2	C1	H6	109.045
H4	C1	H5	111.266	H4	C1	H6	111.266
H5	C1	H6	110.846

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

using model chemistry: CCSD(T)/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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All results from a given calculation for CH3OO (methylperoxy radical)

using model chemistry: CCSD(T)/6-31G*

States and conformations

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