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	hartrees
Energy at 0K	-189.684114
Energy at 298.15K	-189.687804
HF Energy	-189.201528
Nuclear repulsion energy	75.098491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3243	3043	8.85
2	A'	3132	2939	16.34
3	A'	1549	1454	10.54
4	A'	1508	1415	0.02
5	A'	1246	1169	38.97
6	A'	1223	1147	49.27
7	A'	996	934	17.92
8	A'	514	482	6.38
9	A"	3234	3034	15.20
10	A"	1537	1442	6.47
11	A"	1185	1112	0.77
12	A"	152	143	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.990	-0.473	0.000
O2	0.000	0.567	0.000
O3	-1.207	0.055	0.000
H4	1.953	0.040	0.000
H5	0.881	-1.086	0.897
H6	0.881	-1.086	-0.897

	C1	O2	O3	H4	H5	H6
C1		1.4359	2.2601	1.0909	1.0917	1.0917
O2	1.4359		1.3112	2.0227	2.0761	2.0761
O3	2.2601	1.3112		3.1602	2.5424	2.5424
H4	1.0909	2.0227	3.1602		1.7950	1.7950
H5	1.0917	2.0761	2.5424	1.7950		1.7939
H6	1.0917	2.0761	2.5424	1.7950	1.7939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	110.630	O2	C1	H4	105.539
O2	C1	H5	109.690	O2	C1	H6	109.690
H4	C1	H5	110.657	H4	C1	H6	110.657
H5	C1	H6	110.490

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

using model chemistry: MP3=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: MP3=FULL/6-31G*

States and conformations

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