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	hartrees
Energy at 0K	-186.783301
Energy at 298.15K	-186.787000
HF Energy	-186.783301
Nuclear repulsion energy	73.790772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3736	3051	0.32
2	A'	3536	2887	0.94
3	A'	1800	1470	4.76
4	A'	1727	1410	4.06
5	A'	1444	1179	17.76
6	A'	1370	1119	0.32
7	A'	1168	954	1.35
8	A'	534	436	1.24
9	A"	3714	3033	1.85
10	A"	1783	1456	3.52
11	A"	1287	1051	3.70
12	A"	174	142	1.05

Atom	x (Å)	y (Å)	z (Å)
C1	1.003	-0.458	0.000
O2	0.000	0.596	0.000
O3	-1.229	0.013	0.000
H4	1.975	0.039	0.000
H5	0.919	-1.085	0.891
H6	0.919	-1.085	-0.891

	C1	O2	O3	H4	H5	H6
C1		1.4549	2.2811	1.0908	1.0931	1.0931
O2	1.4549		1.3600	2.0519	2.1131	2.1131
O3	2.2811	1.3600		3.2036	2.5714	2.5714
H4	1.0908	2.0519	3.2036		1.7810	1.7810
H5	1.0931	2.1131	2.5714	1.7810		1.7816
H6	1.0931	2.1131	2.5714	1.7810	1.7816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	108.215	O2	C1	H4	106.541
O2	C1	H5	111.266	O2	C1	H6	111.266
H4	C1	H5	109.273	H4	C1	H6	109.273
H5	C1	H6	109.161

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

using model chemistry: HF/STO-3G

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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Number	Element	Mulliken
1	C	-0.074
2	O	-0.141
3	O	-0.015
4	H	0.083
5	H	0.074
6	H	0.074

	x	y	z	Total
	1.167	-1.086	0.000	1.594
CHELPG
AIM
ESP

	x	y	z
x	2.152	0.002	0.000
y	0.002	1.084	0.000
z	0.000	0.000	1.024

<r²>	41.656
(<r²>)^1/2	6.454

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

using model chemistry: HF/STO-3G

States and conformations

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