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	hartrees
Energy at 0K	-190.188708
Energy at 298.15K	-190.192245
HF Energy	-190.188708
Nuclear repulsion energy	73.567001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3073	3078	11.33
2	A'	2959	2964	13.59
3	A'	1406	1408	6.35
4	A'	1362	1364	1.88
5	A'	1139	1140	4.57
6	A'	1056	1058	1.99
7	A'	832	834	5.39
8	A'	468	469	6.33
9	A"	3056	3061	14.48
10	A"	1392	1395	7.87
11	A"	1057	1058	0.50
12	A"	133	134	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	1.018	-0.481	0.000
O2	0.000	0.580	0.000
O3	-1.236	0.050	0.000
H4	1.991	0.046	0.000
H5	0.895	-1.100	0.910
H6	0.895	-1.100	-0.910

	C1	O2	O3	H4	H5	H6
C1		1.4700	2.3149	1.1064	1.1073	1.1073
O2	1.4700		1.3446	2.0611	2.1097	2.1097
O3	2.3149	1.3446		3.2263	2.5862	2.5862
H4	1.1064	2.0611	3.2263		1.8279	1.8279
H5	1.1073	2.1097	2.5862	1.8279		1.8197
H6	1.1073	2.1097	2.5862	1.8279	1.8197

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	110.586	O2	C1	H4	105.385
O2	C1	H5	109.067	O2	C1	H6	109.067
H4	C1	H5	111.327	H4	C1	H6	111.327
H5	C1	H6	110.499

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

using model chemistry: BLYP/cc-pVDZ

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	0.137
2	O	-0.085
3	O	-0.162
4	H	0.031
5	H	0.040
6	H	0.040

	x	y	z	Total
	2.335	-1.011	0.000	2.545
CHELPG
AIM
ESP

	x	y	z
x	4.380	-0.077	0.000
y	-0.077	2.538	0.000
z	0.000	0.000	2.306

<r²>	43.004
(<r²>)^1/2	6.558

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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