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	hartrees
Energy at 0K	-190.236813
Energy at 298.15K	-190.240397
HF Energy	-190.236813
Nuclear repulsion energy	74.761334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3050	12.02
2	A'	3049	2942	14.73
3	A'	1495	1443	5.98
4	A'	1443	1392	1.71
5	A'	1214	1172	8.56
6	A'	1156	1115	1.73
7	A'	911	879	11.48
8	A'	478	461	6.38
9	A"	3149	3039	15.70
10	A"	1483	1431	5.96
11	A"	1126	1086	0.67
12	A"	123	119	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.998	-0.473	0.000
O2	0.000	0.564	0.000
O3	-1.215	0.058	0.000
H4	1.965	0.036	0.000
H5	0.884	-1.087	0.897
H6	0.884	-1.087	-0.897

	C1	O2	O3	H4	H5	H6
C1		1.4390	2.2765	1.0924	1.0928	1.0928
O2	1.4390		1.3161	2.0343	2.0764	2.0764
O3	2.2765	1.3161		3.1802	2.5546	2.5546
H4	1.0924	2.0343	3.1802		1.7981	1.7981
H5	1.0928	2.0764	2.5546	1.7981		1.7933
H6	1.0928	2.0764	2.5546	1.7981	1.7933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	111.357	O2	C1	H4	106.148
O2	C1	H5	109.427	O2	C1	H6	109.427
H4	C1	H5	110.738	H4	C1	H6	110.738
H5	C1	H6	110.268

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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