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	hartrees
Energy at 0K	-189.475772
Energy at 298.15K	-189.479291
HF Energy	-189.121540
Nuclear repulsion energy	70.896131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3050	9.08
2	A'	3053	2942	11.01
3	A'	1534	1479	7.57
4	A'	1464	1410	2.10
5	A'	1169	1126	2.16
6	A'	935	901	18.95
7	A'	802	772	5.13
8	A'	434	418	4.52
9	A"	3158	3043	15.89
10	A"	1520	1464	7.52
11	A"	1127	1086	0.71
12	A"	150	145	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	1.071	-0.434	0.000
O2	0.000	0.615	0.000
O3	-1.296	-0.046	0.000
H4	2.007	0.138	0.000
H5	0.968	-1.044	0.905
H6	0.968	-1.044	-0.905

	C1	O2	O3	H4	H5	H6
C1		1.4991	2.3992	1.0965	1.0967	1.0967
O2	1.4991		1.4553	2.0634	2.1234	2.1234
O3	2.3992	1.4553		3.3089	2.6348	2.6348
H4	1.0965	2.0634	3.3089		1.8155	1.8155
H5	1.0967	2.1234	2.6348	1.8155		1.8104
H6	1.0967	2.1234	2.6348	1.8155	1.8104

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	108.594	O2	C1	H4	104.227
O2	C1	H5	108.781	O2	C1	H6	108.781
H4	C1	H5	111.741	H4	C1	H6	111.741
H5	C1	H6	111.258

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

using model chemistry: QCISD/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: QCISD/6-31G

States and conformations

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