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	hartrees
Energy at 0K	-7859.554404
Energy at 298.15K	-7859.563318
HF Energy	-7859.554404
Nuclear repulsion energy	992.945155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1111	1069	150.01
2	A₁	408	392	0.15
3	A₁	221	213	0.41
4	E	743	715	195.62
4	E	743	715	195.68
5	E	311	299	0.11
5	E	311	299	0.11
6	E	149	143	0.05
6	E	149	143	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.433
F2	0.000	0.000	1.764
Br3	0.000	1.835	-0.176
Br4	1.589	-0.918	-0.176
Br5	-1.589	-0.918	-0.176

	C1	F2	Br3	Br4	Br5
C1		1.3307	1.9336	1.9336	1.9336
F2	1.3307		2.6702	2.6702	2.6702
Br3	1.9336	2.6702		3.1788	3.1788
Br4	1.9336	2.6702	3.1788		3.1788
Br5	1.9336	2.6702	3.1788	3.1788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.349	F2	C1	Br4	108.349
F2	C1	Br5	108.349	Br3	C1	Br4	110.569
Br3	C1	Br5	110.569	Br4	C1	Br5	110.569

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: PBE1PBE/aug-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	0.227
2	F	-0.301
3	Br	0.025
4	Br	0.025
5	Br	0.025

	x	y	z	Total
	0.000	0.000	-0.424	0.424
CHELPG
AIM
ESP

<r²>	426.110
(<r²>)^1/2	20.642

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: PBE1PBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)