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	hartrees
Energy at 0K	-189.332882
Energy at 298.15K	-189.336488
HF Energy	-189.332882
Nuclear repulsion energy	75.419570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3097	3061	2.81
2	A'	2973	2939	5.17
3	A'	1403	1387	12.34
4	A'	1377	1361	3.18
5	A'	1198	1184	4.13
6	A'	1132	1119	2.09
7	A'	924	913	4.02
8	A'	490	484	7.43
9	A"	3067	3032	3.94
10	A"	1390	1374	15.67
11	A"	1074	1062	0.00
12	A"	138	137	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.991	-0.465	0.000
O2	0.000	0.559	0.000
O3	-1.206	0.056	0.000
H4	1.961	0.048	0.000
H5	0.870	-1.085	0.901
H6	0.870	-1.085	-0.901

	C1	O2	O3	H4	H5	H6
C1		1.4247	2.2570	1.0976	1.0998	1.0998
O2	1.4247		1.3062	2.0261	2.0663	2.0663
O3	2.2570	1.3062		3.1662	2.5340	2.5340
H4	1.0976	2.0261	3.1662		1.8120	1.8120
H5	1.0998	2.0663	2.5340	1.8120		1.8020
H6	1.0998	2.0663	2.5340	1.8120	1.8020

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	111.402	O2	C1	H4	106.161
O2	C1	H5	109.188	O2	C1	H6	109.188
H4	C1	H5	111.096	H4	C1	H6	111.096
H5	C1	H6	110.010

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

using model chemistry: SVWN/TZVP

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: SVWN/TZVP

States and conformations

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