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	hartrees
Energy at 0K	-7860.718896
Energy at 298.15K	-7860.727838
HF Energy	-7860.718896
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1108	1060	151.68
2	A₁	409	392	0.11
3	A₁	223	213	0.40
4	E	760	727	185.81
4	E	760	727	186.74
5	E	314	300	0.01
5	E	314	300	0.01
6	E	150	144	0.04
6	E	150	144	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.431
F2	0.000	0.000	1.763
Br3	0.000	1.840	-0.176
Br4	1.593	-0.920	-0.176
Br5	-1.593	-0.920	-0.176

	C1	F2	Br3	Br4	Br5
C1		1.3319	1.9372	1.9372	1.9372
F2	1.3319		2.6727	2.6727	2.6727
Br3	1.9372	2.6727		3.1865	3.1865
Br4	1.9372	2.6727	3.1865		3.1865
Br5	1.9372	2.6727	3.1865	3.1865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.256	F2	C1	Br4	108.256
F2	C1	Br5	108.256	Br3	C1	Br4	110.659
Br3	C1	Br5	110.659	Br4	C1	Br5	110.659

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: wB97X-D/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	0.265
2	F	-0.319
3	Br	0.018
4	Br	0.018
5	Br	0.018

	x	y	z	Total
	0.000	0.000	-0.436	0.436
CHELPG
AIM
ESP

	x	y	z
x	13.008	0.000	0.000
y	0.000	13.008	-0.004
z	0.000	-0.004	9.380

<r²>	427.741
(<r²>)^1/2	20.682

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)