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	hartrees
Energy at 0K	-331.574440
Energy at 298.15K	-331.575146
HF Energy	-331.479697
Nuclear repulsion energy	119.427359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1103	980	7.70
2	A₁	626	556	9.19
3	E	1441	1281	119.90
3	E	1441	1281	119.90
4	E	469	417	3.91
4	E	469	417	3.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.298
F2	0.000	1.322	-0.066
F3	1.144	-0.661	-0.066
F4	-1.144	-0.661	-0.066

	C1	F2	F3	F4
C1		1.3707	1.3707	1.3707
F2	1.3707		2.2890	2.2890
F3	1.3707	2.2890		2.2890
F4	1.3707	2.2890	2.2890

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	F3	113.229		F2	C1	F4	113.229
F3	C1	F4	113.229

All results from a given calculation for CF₃ (Trifluoromethyl radical)

using model chemistry: MP2=FULL/STO-3G

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 CF3 (Trifluoromethyl radical)

using model chemistry: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for CF₃ (Trifluoromethyl radical)