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	hartrees
Energy at 0K	-7859.401672
Energy at 298.15K	-7859.410580
HF Energy	-7859.401672
Nuclear repulsion energy	989.931397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1118	1072	192.43
2	A₁	407	390	0.42
3	A₁	220	211	0.40
4	E	741	711	230.91
4	E	741	711	230.99
5	E	312	300	0.22
5	E	312	300	0.22
6	E	149	143	0.07
6	E	149	143	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.435
F2	0.000	0.000	1.765
Br3	0.000	1.841	-0.176
Br4	1.595	-0.921	-0.176
Br5	-1.595	-0.921	-0.176

	C1	F2	Br3	Br4	Br5
C1		1.3298	1.9403	1.9403	1.9403
F2	1.3298		2.6758	2.6758	2.6758
Br3	1.9403	2.6758		3.1894	3.1894
Br4	1.9403	2.6758	3.1894		3.1894
Br5	1.9403	2.6758	3.1894	3.1894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.373	F2	C1	Br4	108.373
F2	C1	Br5	108.373	Br3	C1	Br4	110.547
Br3	C1	Br5	110.547	Br4	C1	Br5	110.547

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: PBE1PBE/TZVP

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	0.066
2	F	-0.077
3	Br	0.004
4	Br	0.004
5	Br	0.004

	x	y	z	Total
	0.000	0.000	-0.561	0.561
CHELPG
AIM
ESP

<r²>	428.530
(<r²>)^1/2	20.701

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: PBE1PBE/TZVP

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)