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	hartrees
Energy at 0K	-188.474043
Energy at 298.15K	-188.477682
HF Energy	-188.168667
Nuclear repulsion energy	72.233014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3219	3062	11.00
2	A'	3113	2962	12.45
3	A'	1601	1523	9.33
4	A'	1532	1457	15.11
5	A'	1428	1358	75.44
6	A'	1186	1129	0.50
7	A'	907	862	12.45
8	A'	461	438	4.65
9	A"	3202	3046	22.20
10	A"	1584	1507	5.62
11	A"	1156	1100	0.17
12	A"	150	143	1.10

Atom	x (Å)	y (Å)	z (Å)
C1	1.034	-0.468	0.000
O2	0.000	0.618	0.000
O3	-1.255	-0.004	0.000
H4	1.986	0.060	0.000
H5	0.924	-1.079	0.897
H6	0.924	-1.079	-0.897

	C1	O2	O3	H4	H5	H6
C1		1.4991	2.3348	1.0896	1.0905	1.0905
O2	1.4991		1.4002	2.0630	2.1301	2.1301
O3	2.3348	1.4002		3.2416	2.5899	2.5899
H4	1.0896	2.0630	3.2416		1.7974	1.7974
H5	1.0905	2.1301	2.5899	1.7974		1.7932
H6	1.0905	2.1301	2.5899	1.7974	1.7932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	107.230	O2	C1	H4	104.567
O2	C1	H5	109.679	O2	C1	H6	109.679
H4	C1	H5	111.068	H4	C1	H6	111.068
H5	C1	H6	110.608

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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