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	hartrees
Energy at 0K	-190.163303
Energy at 298.15K	-190.166921
HF Energy	-190.163303
Nuclear repulsion energy	75.198802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3205	3052	7.95
2	A'	3082	2935	15.94
3	A'	1493	1422	10.76
4	A'	1457	1388	2.74
5	A'	1284	1222	14.64
6	A'	1200	1143	0.37
7	A'	962	916	16.47
8	A'	509	485	6.19
9	A"	3187	3035	11.21
10	A"	1482	1412	10.94
11	A"	1131	1077	0.61
12	A"	116	111	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.996	-0.474	0.000
O2	0.000	0.556	0.000
O3	-1.213	0.066	0.000
H4	1.959	0.039	0.000
H5	0.884	-1.086	0.898
H6	0.884	-1.086	-0.898

	C1	O2	O3	H4	H5	H6
C1		1.4327	2.2743	1.0913	1.0922	1.0922
O2	1.4327		1.3080	2.0263	2.0693	2.0693
O3	2.2743	1.3080		3.1725	2.5555	2.5555
H4	1.0913	2.0263	3.1725		1.7967	1.7967
H5	1.0922	2.0693	2.5555	1.7967		1.7954
H6	1.0922	2.0693	2.5555	1.7967	1.7954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	112.079	O2	C1	H4	106.009
O2	C1	H5	109.343	O2	C1	H6	109.343
H4	C1	H5	110.741	H4	C1	H6	110.741
H5	C1	H6	110.547

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

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	C	-0.287
2	O	-0.058
3	O	-0.191
4	H	0.174
5	H	0.181
6	H	0.181

	x	y	z	Total
	2.694	-1.255	0.000	2.972
CHELPG
AIM
ESP

	x	y	z
x	4.524	0.028	0.000
y	0.028	2.899	0.000
z	0.000	0.000	2.656

<r²>	41.902
(<r²>)^1/2	6.473

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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