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	hartrees
Energy at 0K	-189.715247
Energy at 298.15K	-189.719002
HF Energy	-189.250627
Nuclear repulsion energy	75.946764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3268	3037	11.75
2	A'	3154	2930	20.69
3	A'	1564	1453	14.04
4	A'	1535	1426	0.21
5	A'	1300	1208	71.83
6	A'	1264	1174	10.95
7	A'	1029	956	22.36
8	A'	531	493	6.23
9	A"	3251	3021	21.44
10	A"	1550	1440	9.06
11	A"	1216	1130	1.22
12	A"	170	158	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.980	-0.479	0.000
O2	0.000	0.560	0.000
O3	-1.193	0.067	0.000
H4	1.939	0.028	0.000
H5	0.863	-1.085	0.893
H6	0.863	-1.085	-0.893

	C1	O2	O3	H4	H5	H6
C1		1.4280	2.2404	1.0845	1.0858	1.0858
O2	1.4280		1.2910	2.0105	2.0615	2.0615
O3	2.2404	1.2910		3.1321	2.5207	2.5207
H4	1.0845	2.0105	3.1321		1.7869	1.7869
H5	1.0858	2.0615	2.5207	1.7869		1.7862
H6	1.0858	2.0615	2.5207	1.7869	1.7862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	110.870	O2	C1	H4	105.483
O2	C1	H5	109.431	O2	C1	H6	109.431
H4	C1	H5	110.836	H4	C1	H6	110.836
H5	C1	H6	110.680

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

using model chemistry: CID/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: CID/6-311G*

States and conformations

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