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	hartrees
Energy at 0K	-188.479240
Energy at 298.15K	-188.482879
HF Energy	-188.168686
Nuclear repulsion energy	72.242717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3219	3052	10.93
2	A'	3114	2952	12.41
3	A'	1601	1518	9.36
4	A'	1532	1452	14.97
5	A'	1428	1354	75.74
6	A'	1187	1125	0.50
7	A'	907	860	12.43
8	A'	461	437	4.65
9	A"	3203	3036	22.11
10	A"	1584	1502	5.65
11	A"	1157	1096	0.17
12	A"	150	142	1.10

Atom	x (Å)	y (Å)	z (Å)
C1	1.034	-0.468	0.000
O2	0.000	0.617	0.000
O3	-1.255	-0.004	0.000
H4	1.986	0.061	0.000
H5	0.924	-1.079	0.896
H6	0.924	-1.079	-0.896

	C1	O2	O3	H4	H5	H6
C1		1.4987	2.3345	1.0894	1.0904	1.0904
O2	1.4987		1.4001	2.0627	2.1298	2.1298
O3	2.3345	1.4001		3.2413	2.5897	2.5897
H4	1.0894	2.0627	3.2413		1.7971	1.7971
H5	1.0904	2.1298	2.5897	1.7971		1.7929
H6	1.0904	2.1298	2.5897	1.7971	1.7929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	107.236	O2	C1	H4	104.576
O2	C1	H5	109.685	O2	C1	H6	109.685
H4	C1	H5	111.062	H4	C1	H6	111.062
H5	C1	H6	110.600

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

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

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