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	hartrees
Energy at 0K	-189.442113
Energy at 298.15K	-189.445693
HF Energy	-189.123442
Nuclear repulsion energy	72.590381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3074	7.33
2	A'	3103	2948	13.36
3	A'	1561	1483	10.29
4	A'	1500	1425	2.38
5	A'	1302	1237	128.99
6	A'	1181	1122	0.38
7	A'	873	829	14.29
8	A'	468	445	5.18
9	A"	3215	3055	16.73
10	A"	1547	1470	8.17
11	A"	1151	1094	0.66
12	A"	122	116	1.13

Atom	x (Å)	y (Å)	z (Å)
C1	1.040	-0.491	0.000
O2	0.000	0.588	0.000
O3	-1.259	0.047	0.000
H4	1.986	0.055	0.000
H5	0.923	-1.096	0.902
H6	0.923	-1.096	-0.902

	C1	O2	O3	H4	H5	H6
C1		1.4988	2.3618	1.0912	1.0929	1.0929
O2	1.4988		1.3707	2.0560	2.1221	2.1221
O3	2.3618	1.3707		3.2450	2.6237	2.6237
H4	1.0912	2.0560	3.2450		1.8078	1.8078
H5	1.0929	2.1221	2.6237	1.8078		1.8042
H6	1.0929	2.1221	2.6237	1.8078	1.8042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	110.715	O2	C1	H4	103.978
O2	C1	H5	108.925	O2	C1	H6	108.925
H4	C1	H5	111.720	H4	C1	H6	111.720
H5	C1	H6	111.257

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

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

States and conformations

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