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	hartrees
Energy at 0K	-190.006646
Energy at 298.15K	-190.010299
HF Energy	-190.006646
Nuclear repulsion energy	75.326474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3208	3049	9.26
2	A'	3093	2939	14.19
3	A'	1512	1437	9.21
4	A'	1466	1393	0.54
5	A'	1269	1206	12.40
6	A'	1202	1142	0.20
7	A'	969	921	14.54
8	A'	503	478	6.51
9	A"	3193	3035	13.56
10	A"	1501	1426	8.25
11	A"	1146	1089	0.29
12	A"	143	136	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.990	-0.474	0.000
O2	0.000	0.565	0.000
O3	-1.205	0.058	0.000
H4	1.955	0.037	0.000
H5	0.872	-1.086	0.897
H6	0.872	-1.086	-0.897

	C1	O2	O3	H4	H5	H6
C1		1.4351	2.2579	1.0917	1.0926	1.0926
O2	1.4351		1.3069	2.0247	2.0715	2.0715
O3	2.2579	1.3069		3.1591	2.5347	2.5347
H4	1.0917	2.0247	3.1591		1.7996	1.7996
H5	1.0926	2.0715	2.5347	1.7996		1.7950
H6	1.0926	2.0715	2.5347	1.7996	1.7950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	110.779	O2	C1	H4	105.704
O2	C1	H5	109.326	O2	C1	H6	109.326
H4	C1	H5	110.951	H4	C1	H6	110.951
H5	C1	H6	110.455

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

using model chemistry: PBE1PBE/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: PBE1PBE/6-31G*

States and conformations

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