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	hartrees
Energy at 0K	-189.932728
Energy at 298.15K	-189.936384
HF Energy	-189.278380
Nuclear repulsion energy	75.809848

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	3066	4.64
2	A'	3125	2967	17.49
3	A'	1522	1445	14.28
4	A'	1475	1400	0.12
5	A'	1294	1229	85.83
6	A'	1209	1148	1.77
7	A'	970	921	16.74
8	A'	509	483	7.34
9	A"	3222	3059	8.25
10	A"	1511	1434	8.71
11	A"	1157	1098	0.77
12	A"	129	122	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.982	-0.486	0.000
O2	0.000	0.566	0.000
O3	-1.193	0.069	0.000
H4	1.942	0.011	0.000
H5	0.854	-1.086	0.890
H6	0.854	-1.086	-0.890

	C1	O2	O3	H4	H5	H6
C1		1.4385	2.2438	1.0812	1.0814	1.0814
O2	1.4385		1.2921	2.0200	2.0621	2.0621
O3	2.2438	1.2921		3.1353	2.5133	2.5133
H4	1.0812	2.0200	3.1353		1.7830	1.7830
H5	1.0814	2.0621	2.5133	1.7830		1.7805
H6	1.0814	2.0621	2.5133	1.7830	1.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	110.398	O2	C1	H4	105.708
O2	C1	H5	109.009	O2	C1	H6	109.009
H4	C1	H5	111.066	H4	C1	H6	111.066
H5	C1	H6	110.817

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

using model chemistry: MP2=FULL/cc-pVTZ

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: MP2=FULL/cc-pVTZ

States and conformations

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