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	hartrees
Energy at 0K	-190.031828
Energy at 298.15K	-190.035466
HF Energy	-189.872716
Nuclear repulsion energy	74.703289

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3057	9.94
2	A'	3112	2952	14.77
3	A'	1534	1455	7.47
4	A'	1480	1404	2.15
5	A'	1244	1180	11.98
6	A'	1188	1127	1.34
7	A'	943	895	16.72
8	A'	496	470	6.66
9	A"	3213	3048	13.88
10	A"	1523	1445	6.53
11	A"	1156	1096	0.61
12	A"	140	133	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	1.000	-0.470	0.000
O2	0.000	0.564	0.000
O3	-1.217	0.054	0.000
H4	1.962	0.043	0.000
H5	0.887	-1.083	0.896
H6	0.887	-1.083	-0.896

	C1	O2	O3	H4	H5	H6
C1		1.4383	2.2781	1.0904	1.0912	1.0912
O2	1.4383		1.3194	2.0301	2.0740	2.0740
O3	2.2781	1.3194		3.1792	2.5542	2.5542
H4	1.0904	2.0301	3.1792		1.7959	1.7959
H5	1.0912	2.0740	2.5542	1.7959		1.7913
H6	1.0912	2.0740	2.5542	1.7959	1.7913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	111.329	O2	C1	H4	105.981
O2	C1	H5	109.392	O2	C1	H6	109.392
H4	C1	H5	110.819	H4	C1	H6	110.819
H5	C1	H6	110.332

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-31G*

States and conformations

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