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	hartrees
Energy at 0K	-188.464768
Energy at 298.15K	-188.468454
HF Energy	-188.169518
Nuclear repulsion energy	72.330097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3220	3000	12.09
2	A'	3129	2915	12.68
3	A'	1610	1500	8.13
4	A'	1527	1423	0.19
5	A'	1351	1259	53.97
6	A'	1211	1128	0.60
7	A'	950	885	15.87
8	A'	465	433	4.08
9	A"	3208	2989	25.19
10	A"	1590	1481	5.82
11	A"	1181	1100	0.38
12	A"	167	156	1.56

Atom	x (Å)	y (Å)	z (Å)
C1	1.034	-0.448	0.000
O2	0.000	0.614	0.000
O3	-1.258	-0.024	0.000
H4	1.982	0.089	0.000
H5	0.938	-1.061	0.895
H6	0.938	-1.061	-0.895

	C1	O2	O3	H4	H5	H6
C1		1.4819	2.3306	1.0888	1.0893	1.0893
O2	1.4819		1.4101	2.0501	2.1178	2.1178
O3	2.3306	1.4101		3.2413	2.5877	2.5877
H4	1.0888	2.0501	3.2413		1.7923	1.7923
H5	1.0893	2.1178	2.5877	1.7923		1.7903
H6	1.0893	2.1178	2.5877	1.7923	1.7903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	107.363	O2	C1	H4	104.741
O2	C1	H5	109.967	O2	C1	H6	109.967
H4	C1	H5	110.745	H4	C1	H6	110.745
H5	C1	H6	110.530

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

using model chemistry: CID/3-21G

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/3-21G

States and conformations

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