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	hartrees
Energy at 0K	-189.275213
Energy at 298.15K	-189.279019
HF Energy	-189.275213
Nuclear repulsion energy	76.025719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3300	2998	19.07
2	A'	3198	2905	30.07
3	A'	1621	1473	12.24
4	A'	1595	1449	2.33
5	A'	1337	1215	11.91
6	A'	1269	1153	70.33
7	A'	1055	959	32.09
8	A'	534	485	4.91
9	A"	3279	2979	34.60
10	A"	1603	1457	6.65
11	A"	1272	1155	2.54
12	A"	187	170	1.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.981	-0.466	0.000
O2	0.000	0.556	0.000
O3	-1.197	0.056	0.000
H4	1.932	0.044	0.000
H5	0.882	-1.075	0.888
H6	0.882	-1.075	-0.888

	C1	O2	O3	H4	H5	H6
C1		1.4162	2.2398	1.0795	1.0813	1.0813
O2	1.4162		1.2975	1.9990	2.0558	2.0558
O3	2.2398	1.2975		3.1298	2.5282	2.5282
H4	1.0795	1.9990	3.1298		1.7729	1.7729
H5	1.0813	2.0558	2.5282	1.7729		1.7754
H6	1.0813	2.0558	2.5282	1.7729	1.7754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	111.177	O2	C1	H4	105.660
O2	C1	H5	110.082	O2	C1	H6	110.082
H4	C1	H5	110.275	H4	C1	H6	110.275
H5	C1	H6	110.371

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

using model chemistry: HF/TZVP

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: HF/TZVP

States and conformations

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