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	hartrees
Energy at 0K	-189.705515
Energy at 298.15K	-189.709152
HF Energy	-189.211324
Nuclear repulsion energy	74.978450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3088	5.08
2	A'	3154	2962	20.02
3	A'	1543	1449	13.91
4	A'	1492	1402	0.04
5	A'	1270	1193	113.47
6	A'	1212	1138	0.86
7	A'	951	893	18.72
8	A'	502	472	6.75
9	A"	3280	3081	8.69
10	A"	1529	1436	7.60
11	A"	1162	1091	1.24
12	A"	128	120	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.997	-0.487	0.000
O2	0.000	0.571	0.000
O3	-1.209	0.062	0.000
H4	1.951	0.029	0.000
H5	0.869	-1.085	0.895
H6	0.869	-1.085	-0.895

	C1	O2	O3	H4	H5	H6
C1		1.4537	2.2739	1.0843	1.0846	1.0846
O2	1.4537		1.3119	2.0248	2.0735	2.0735
O3	2.2739	1.3119		3.1605	2.5374	2.5374
H4	1.0843	2.0248	3.1605		1.7927	1.7927
H5	1.0846	2.0735	2.5374	1.7927		1.7910
H6	1.0846	2.0735	2.5374	1.7927	1.7910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	110.507	O2	C1	H4	104.912
O2	C1	H5	108.681	O2	C1	H6	108.681
H4	C1	H5	111.493	H4	C1	H6	111.493
H5	C1	H6	111.308

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

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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