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	hartrees
Energy at 0K	-189.802706
Energy at 298.15K	-189.806400
HF Energy	-189.250125
Nuclear repulsion energy	75.575267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3243	3072	6.97
2	A'	3115	2950	17.65
3	A'	1533	1452	16.53
4	A'	1498	1419	0.79
5	A'	1294	1225	87.03
6	A'	1226	1161	0.41
7	A'	974	923	16.71
8	A'	518	491	7.29
9	A"	3229	3058	13.12
10	A"	1520	1440	10.20
11	A"	1177	1115	0.64
12	A"	150	142	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.986	-0.490	0.000
O2	0.000	0.565	0.000
O3	-1.197	0.074	0.000
H4	1.947	0.018	0.000
H5	0.857	-1.093	0.897
H6	0.857	-1.093	-0.897

	C1	O2	O3	H4	H5	H6
C1		1.4433	2.2538	1.0873	1.0881	1.0881
O2	1.4433		1.2935	2.0224	2.0699	2.0699
O3	2.2538	1.2935		3.1442	2.5259	2.5259
H4	1.0873	2.0224	3.1442		1.7962	1.7962
H5	1.0881	2.0699	2.5259	1.7962		1.7932
H6	1.0881	2.0699	2.5259	1.7962	1.7932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	110.760	O2	C1	H4	105.239
O2	C1	H5	108.897	O2	C1	H6	108.897
H4	C1	H5	111.314	H4	C1	H6	111.314
H5	C1	H6	110.969

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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