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	hartrees
Energy at 0K	-7823.289195
Energy at 298.15K	-7823.297956
HF Energy	-7823.289195
Nuclear repulsion energy	985.242005

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1092	1050	109.07
2	A₁	389	374	0.71
3	A₁	210	202	0.05
4	E	715	688	209.51
4	E	715	688	209.44
5	E	285	274	0.03
5	E	285	274	0.03
6	E	147	141	0.04
6	E	147	141	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.456
F2	0.000	0.000	1.833
Br3	0.000	1.840	-0.183
Br4	1.594	-0.920	-0.183
Br5	-1.594	-0.920	-0.183

	C1	F2	Br3	Br4	Br5
C1		1.3770	1.9479	1.9479	1.9479
F2	1.3770		2.7294	2.7294	2.7294
Br3	1.9479	2.7294		3.1874	3.1874
Br4	1.9479	2.7294	3.1874		3.1874
Br5	1.9479	2.7294	3.1874	3.1874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	109.140	F2	C1	Br4	109.140
F2	C1	Br5	109.140	Br3	C1	Br4	109.800
Br3	C1	Br5	109.800	Br4	C1	Br5	109.800

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: B3LYP/3-21G*

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	-0.236
3	Br	0.039
4	Br	0.039
5	Br	0.039

	x	y	z	Total
	0.000	0.000	-0.672	0.672
CHELPG
AIM
ESP

<r²>	429.790
(<r²>)^1/2	20.731

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: B3LYP/3-21G*

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)