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	hartrees
Energy at 0K	-189.691293
Energy at 298.15K	-189.694975
HF Energy	-189.200454
Nuclear repulsion energy	74.516138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3209	3030	10.70
2	A'	3100	2928	15.38
3	A'	1536	1450	7.56
4	A'	1487	1404	1.16
5	A'	1231	1163	8.74
6	A'	1173	1108	14.53
7	A'	964	911	16.98
8	A'	501	473	6.06
9	A"	3201	3023	15.88
10	A"	1524	1439	5.96
11	A"	1167	1102	0.85
12	A"	164	155	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	1.002	-0.467	0.000
O2	0.000	0.579	0.000
O3	-1.217	0.033	0.000
H4	1.961	0.055	0.000
H5	0.883	-1.075	0.900
H6	0.883	-1.075	-0.900

	C1	O2	O3	H4	H5	H6
C1		1.4480	2.2746	1.0924	1.0927	1.0927
O2	1.4480		1.3340	2.0299	2.0801	2.0801
O3	2.2746	1.3340		3.1787	2.5399	2.5399
H4	1.0924	2.0299	3.1787		1.8029	1.8029
H5	1.0927	2.0801	2.5399	1.8029		1.7993
H6	1.0927	2.0801	2.5399	1.8029	1.7993

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	109.625	O2	C1	H4	105.218
O2	C1	H5	109.109	O2	C1	H6	109.109
H4	C1	H5	111.188	H4	C1	H6	111.188
H5	C1	H6	110.841

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

using model chemistry: CCSD/6-31G*

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: CCSD/6-31G*

States and conformations

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