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	hartrees
Energy at 0K	-188.511065
Energy at 298.15K	-188.514643
HF Energy	-188.168330
Nuclear repulsion energy	70.854312

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3151	3054	11.82
2	A'	3060	2966	11.26
3	A'	1570	1521	6.02
4	A'	1468	1423	3.72
5	A'	1164	1128	2.89
6	A'	1016	985	16.90
7	A'	854	827	5.83
8	A'	432	419	4.98
9	A"	3147	3051	18.85
10	A"	1554	1506	5.05
11	A"	1124	1090	0.14
12	A"	164	159	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	1.056	-0.432	0.000
O2	0.000	0.643	0.000
O3	-1.280	-0.072	0.000
H4	2.007	0.110	0.000
H5	0.947	-1.042	0.901
H6	0.947	-1.042	-0.901

	C1	O2	O3	H4	H5	H6
C1		1.5067	2.3636	1.0943	1.0938	1.0938
O2	1.5067		1.4662	2.0768	2.1325	2.1325
O3	2.3636	1.4662		3.2921	2.5903	2.5903
H4	1.0943	2.0768	3.2921		1.8067	1.8067
H5	1.0938	2.1325	2.5903	1.8067		1.8015
H6	1.0938	2.1325	2.5903	1.8067	1.8015

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	105.313	O2	C1	H4	104.854
O2	C1	H5	109.144	O2	C1	H6	109.144
H4	C1	H5	111.312	H4	C1	H6	111.312
H5	C1	H6	110.865

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

using model chemistry: QCISD/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: QCISD/3-21G

States and conformations

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