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	hartrees
Energy at 0K	-38.694668
Energy at 298.15K	-38.698215
HF Energy	-38.424319
Nuclear repulsion energy	41.982343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	3117	24.10
2	A'	3070	2967	33.40
3	A'	1521	1469	18.10
4	A'	1486	1436	30.36
5	A'	1395	1348	108.12
6	A'	1167	1128	0.17
7	A'	874	845	17.93
8	A'	453	438	4.61
9	A"	3207	3099	43.34
10	A"	1500	1449	7.68
11	A"	1126	1088	0.47
12	A"	113	109	1.60

Atom	x (Å)	y (Å)	z (Å)
C1	1.052	-0.503	0.000
O2	0.000	0.589	0.000
O3	-1.272	0.060	0.000
H4	2.004	0.054	0.000
H5	0.930	-1.112	0.914
H6	0.930	-1.112	-0.914

	C1	O2	O3	H4	H5	H6
C1		1.5166	2.3911	1.1032	1.1048	1.1048
O2	1.5166		1.3779	2.0742	2.1437	2.1437
O3	2.3911	1.3779		3.2760	2.6567	2.6567
H4	1.1032	2.0742	3.2760		1.8298	1.8298
H5	1.1048	2.1437	2.6567	1.8298		1.8274
H6	1.1048	2.1437	2.6567	1.8298	1.8274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	111.304	O2	C1	H4	103.570
O2	C1	H5	108.709	O2	C1	H6	108.709
H4	C1	H5	111.933	H4	C1	H6	111.933
H5	C1	H6	111.589

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

using model chemistry: MP2/CEP-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: MP2/CEP-31G

States and conformations

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