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	hartrees
Energy at 0K	-7859.290502
Energy at 298.15K	-7859.299246
HF Energy	-7859.290502
Nuclear repulsion energy	980.752066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1053	1046	162.07
2	A₁	387	385	0.43
3	A₁	208	207	0.41
4	E	682	677	227.92
4	E	682	677	227.90
5	E	294	292	1.11
5	E	294	292	1.11
6	E	141	140	0.08
6	E	141	140	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.440
F2	0.000	0.000	1.784
Br3	0.000	1.858	-0.178
Br4	1.609	-0.929	-0.178
Br5	-1.609	-0.929	-0.178

	C1	F2	Br3	Br4	Br5
C1		1.3433	1.9585	1.9585	1.9585
F2	1.3433		2.7023	2.7023	2.7023
Br3	1.9585	2.7023		3.2187	3.2187
Br4	1.9585	2.7023	3.2187		3.2187
Br5	1.9585	2.7023	3.2187	3.2187

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.410	F2	C1	Br4	108.410
F2	C1	Br5	108.410	Br3	C1	Br4	110.511
Br3	C1	Br5	110.511	Br4	C1	Br5	110.511

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: PBEPBEultrafine/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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Number	Element	Mulliken
1	C	0.045
2	F	-0.082
3	Br	0.012
4	Br	0.012
5	Br	0.012

	x	y	z	Total
	0.000	0.000	-0.290	0.290
CHELPG
AIM
ESP

<r²>	435.787
(<r²>)^1/2	20.876

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)