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	hartrees
Energy at 0K	-7859.045716
Energy at 298.15K	-7859.054461
HF Energy	-7859.045716
Nuclear repulsion energy	978.918741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1014	1008	151.39
2	A₁	386	384	0.13
3	A₁	211	209	0.58
4	E	684	680	219.34
4	E	684	680	219.33
5	E	291	290	0.81
5	E	291	290	0.81
6	E	142	142	0.11
6	E	142	142	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.435
F2	0.000	0.000	1.793
Br3	0.000	1.861	-0.179
Br4	1.612	-0.931	-0.179
Br5	-1.612	-0.931	-0.179

	C1	F2	Br3	Br4	Br5
C1		1.3575	1.9597	1.9597	1.9597
F2	1.3575		2.7111	2.7111	2.7111
Br3	1.9597	2.7111		3.2235	3.2235
Br4	1.9597	2.7111	3.2235		3.2235
Br5	1.9597	2.7111	3.2235	3.2235

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.259	F2	C1	Br4	108.259
F2	C1	Br5	108.259	Br3	C1	Br4	110.656
Br3	C1	Br5	110.656	Br4	C1	Br5	110.656

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

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	-0.727
2	F	-0.230
3	Br	0.319
4	Br	0.319
5	Br	0.319

	x	y	z	Total
	0.000	0.000	-0.423	0.423
CHELPG
AIM
ESP

<r²>	437.387
(<r²>)^1/2	20.914

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)