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	hartrees
Energy at 0K	-190.036083
Energy at 298.15K	-190.039726
HF Energy	-190.036083
Nuclear repulsion energy	75.224372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3056	6.76
2	A'	3080	2941	15.02
3	A'	1488	1420	12.61
4	A'	1448	1383	0.73
5	A'	1256	1199	12.94
6	A'	1187	1133	0.22
7	A'	956	912	14.31
8	A'	502	479	6.05
9	A"	3185	3041	9.94
10	A"	1476	1409	11.09
11	A"	1134	1082	0.46
12	A"	138	132	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.994	-0.477	0.000
O2	0.000	0.562	0.000
O3	-1.209	0.063	0.000
H4	1.955	0.038	0.000
H5	0.875	-1.087	0.898
H6	0.875	-1.087	-0.898

	C1	O2	O3	H4	H5	H6
C1		1.4376	2.2674	1.0910	1.0920	1.0920
O2	1.4376		1.3076	2.0242	2.0714	2.0714
O3	2.2674	1.3076		3.1640	2.5438	2.5438
H4	1.0910	2.0242	3.1640		1.7997	1.7997
H5	1.0920	2.0714	2.5438	1.7997		1.7965
H6	1.0920	2.0714	2.5438	1.7997	1.7965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	111.284	O2	C1	H4	105.535
O2	C1	H5	109.180	O2	C1	H6	109.180
H4	C1	H5	111.051	H4	C1	H6	111.051
H5	C1	H6	110.687

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

using model chemistry: HSEh1PBE/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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All results from a given calculation for CH3OO (methylperoxy radical)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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