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	hartrees
Energy at 0K	-7852.658033
Energy at 298.15K	-7852.666808
HF Energy	-7852.658033
Nuclear repulsion energy	986.260667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1115	1070	161.31
2	A₁	385	370	0.89
3	A₁	214	206	0.19
4	E	702	673	229.57
4	E	701	673	229.32
5	E	294	283	0.56
5	E	294	283	0.56
6	E	149	143	0.03
6	E	149	143	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.447
F2	0.000	0.000	1.787
Br3	0.000	1.845	-0.179
Br4	1.598	-0.923	-0.179
Br5	-1.598	-0.923	-0.179

	C1	F2	Br3	Br4	Br5
C1		1.3404	1.9486	1.9486	1.9486
F2	1.3404		2.6964	2.6964	2.6964
Br3	1.9486	2.6964		3.1965	3.1965
Br4	1.9486	2.6964	3.1965		3.1965
Br5	1.9486	2.6964	3.1965	3.1965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.724	F2	C1	Br4	108.724
F2	C1	Br5	108.724	Br3	C1	Br4	110.208
Br3	C1	Br5	110.208	Br4	C1	Br5	110.208

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: TPSSh/6-31G*

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	0.222
2	F	-0.199
3	Br	-0.008
4	Br	-0.008
5	Br	-0.008

	x	y	z	Total
	0.000	0.000	-0.265	0.265
CHELPG
AIM
ESP

	x	y	z
x	10.545	0.000	0.000
y	0.000	10.544	0.001
z	0.000	0.001	6.613

<r²>	430.373
(<r²>)^1/2	20.745

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: TPSSh/6-31G*

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)