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	hartrees
Energy at 0K	-189.472468
Energy at 298.15K	-189.476026
HF Energy	-189.172905
Nuclear repulsion energy	72.165744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3098	13.60
2	A'	3064	2951	25.68
3	A'	1530	1474	16.28
4	A'	1486	1431	19.64
5	A'	1380	1329	119.08
6	A'	1171	1128	0.14
7	A'	868	836	18.02
8	A'	457	441	4.53
9	A"	3199	3081	27.26
10	A"	1513	1457	10.17
11	A"	1134	1092	0.36
12	A"	118	114	1.40

Atom	x (Å)	y (Å)	z (Å)
C1	1.048	-0.499	0.000
O2	0.000	0.590	0.000
O3	-1.267	0.055	0.000
H4	1.997	0.050	0.000
H5	0.927	-1.106	0.908
H6	0.927	-1.106	-0.908

	C1	O2	O3	H4	H5	H6
C1		1.5108	2.3800	1.0972	1.0986	1.0986
O2	1.5108		1.3755	2.0690	2.1352	2.1352
O3	2.3800	1.3755		3.2646	2.6430	2.6430
H4	1.0972	2.0690	3.2646		1.8183	1.8183
H5	1.0986	2.1352	2.6430	1.8183		1.8154
H6	1.0986	2.1352	2.6430	1.8183	1.8154

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	111.001	O2	C1	H4	103.862
O2	C1	H5	108.794	O2	C1	H6	108.794
H4	C1	H5	111.808	H4	C1	H6	111.808
H5	C1	H6	111.424

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

using model chemistry: MP2/LANL2DZ

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: MP2/LANL2DZ

States and conformations

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