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	hartrees
Energy at 0K	-189.718855
Energy at 298.15K	-189.722532
HF Energy	-189.204843
Nuclear repulsion energy	74.355250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3247	3057	12.82
2	A'	3131	2948	17.25
3	A'	1547	1456	5.43
4	A'	1491	1403	3.23
5	A'	1227	1155	4.76
6	A'	1123	1057	12.10
7	A'	952	896	15.63
8	A'	493	464	5.56
9	A"	3238	3048	18.39
10	A"	1533	1443	4.40
11	A"	1165	1097	1.49
12	A"	165	155	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	1.006	-0.459	0.000
O2	0.000	0.583	0.000
O3	-1.222	0.021	0.000
H4	1.959	0.063	0.000
H5	0.890	-1.066	0.895
H6	0.890	-1.066	-0.895

	C1	O2	O3	H4	H5	H6
C1		1.4480	2.2784	1.0869	1.0873	1.0873
O2	1.4480		1.3448	2.0266	2.0764	2.0764
O3	2.2784	1.3448		3.1809	2.5381	2.5381
H4	1.0869	2.0266	3.1809		1.7936	1.7936
H5	1.0873	2.0764	2.5381	1.7936		1.7894
H6	1.0873	2.0764	2.5381	1.7936	1.7894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	109.285	O2	C1	H4	105.276
O2	C1	H5	109.144	O2	C1	H6	109.144
H4	C1	H5	111.172	H4	C1	H6	111.172
H5	C1	H6	110.755

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

using model chemistry: QCISD/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: QCISD/6-31G**

States and conformations

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