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	hartrees
Energy at 0K	-7859.303982
Energy at 298.15K	-7859.312866
HF Energy	-7858.947017
Nuclear repulsion energy	987.261457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1090	1046	158.82
2	A₁	400	384	0.27
3	A₁	219	210	0.33
4	E	733	703	202.69
4	E	733	703	202.62
5	E	308	295	0.15
5	E	308	295	0.15
6	E	149	143	0.05
6	E	149	143	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.432
F2	0.000	0.000	1.770
Br3	0.000	1.846	-0.176
Br4	1.599	-0.923	-0.176
Br5	-1.599	-0.923	-0.176

	C1	F2	Br3	Br4	Br5
C1		1.3381	1.9442	1.9442	1.9442
F2	1.3381		2.6832	2.6832	2.6832
Br3	1.9442	2.6832		3.1982	3.1982
Br4	1.9442	2.6832	3.1982		3.1982
Br5	1.9442	2.6832	3.1982	3.1982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.246	F2	C1	Br4	108.246
F2	C1	Br5	108.246	Br3	C1	Br4	110.668
Br3	C1	Br5	110.668	Br4	C1	Br5	110.668

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: B2PLYP/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	0.120
2	F	-0.123
3	Br	0.001
4	Br	0.001
5	Br	0.001

	x	y	z	Total
	0.000	0.000	-0.438	0.438
CHELPG
AIM
ESP

<r²>	430.851
(<r²>)^1/2	20.757

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)