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	hartrees
Energy at 0K	-189.780981
Energy at 298.15K	-189.784695
HF Energy	-189.249083
Nuclear repulsion energy	74.866763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3045	12.14
2	A'	3068	2938	16.55
3	A'	1520	1455	9.94
4	A'	1482	1419	0.42
5	A'	1234	1181	5.46
6	A'	1145	1096	10.16
7	A'	963	922	16.01
8	A'	507	486	5.89
9	A"	3166	3031	18.86
10	A"	1505	1440	8.83
11	A"	1170	1120	1.04
12	A"	178	170	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.997	-0.467	0.000
O2	0.000	0.573	0.000
O3	-1.212	0.040	0.000
H4	1.957	0.052	0.000
H5	0.878	-1.076	0.899
H6	0.878	-1.076	-0.899

	C1	O2	O3	H4	H5	H6
C1		1.4411	2.2666	1.0916	1.0924	1.0924
O2	1.4411		1.3240	2.0252	2.0734	2.0734
O3	2.2666	1.3240		3.1690	2.5338	2.5338
H4	1.0916	2.0252	3.1690		1.8021	1.8021
H5	1.0924	2.0734	2.5338	1.8021		1.7980
H6	1.0924	2.0734	2.5338	1.8021	1.7980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	110.040	O2	C1	H4	105.350
O2	C1	H5	109.070	O2	C1	H6	109.070
H4	C1	H5	111.204	H4	C1	H6	111.204
H5	C1	H6	110.763

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

using model chemistry: QCISD/6-311G*

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/6-311G*

States and conformations

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