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	hartrees
Energy at 0K	-190.097942
Energy at 298.15K	-190.101584
HF Energy	-190.097942
Nuclear repulsion energy	75.493597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3047	8.08
2	A'	3062	2943	14.52
3	A'	1481	1423	10.24
4	A'	1443	1386	0.76
5	A'	1249	1200	13.23
6	A'	1186	1140	0.27
7	A'	954	917	13.76
8	A'	502	482	6.56
9	A"	3155	3033	11.98
10	A"	1468	1411	10.20
11	A"	1133	1089	0.47
12	A"	133	128	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.989	-0.477	0.000
O2	0.000	0.561	0.000
O3	-1.203	0.064	0.000
H4	1.953	0.029	0.000
H5	0.870	-1.087	0.895
H6	0.870	-1.087	-0.895

	C1	O2	O3	H4	H5	H6
C1		1.4333	2.2576	1.0884	1.0893	1.0893
O2	1.4333		1.3017	2.0239	2.0670	2.0670
O3	2.2576	1.3017		3.1560	2.5344	2.5344
H4	1.0884	2.0239	3.1560		1.7935	1.7935
H5	1.0893	2.0670	2.5344	1.7935		1.7893
H6	1.0893	2.0670	2.5344	1.7935	1.7893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	111.174	O2	C1	H4	105.943
O2	C1	H5	109.288	O2	C1	H6	109.288
H4	C1	H5	110.884	H4	C1	H6	110.884
H5	C1	H6	110.435

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

using model chemistry: HSEh1PBE/cc-pVTZ

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/cc-pVTZ

States and conformations

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