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	hartrees
Energy at 0K	-7860.392838
Energy at 298.15K	-7860.401642
HF Energy	-7860.392838
Nuclear repulsion energy	978.147447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1089	1053	192.16
2	A₁	391	378	0.62
3	A₁	212	205	0.42
4	E	706	683	246.46
4	E	706	683	246.46
5	E	302	292	0.92
5	E	302	292	0.92
6	E	146	141	0.10
6	E	146	141	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.434
F2	0.000	0.000	1.769
Br3	0.000	1.867	-0.176
Br4	1.616	-0.933	-0.176
Br5	-1.616	-0.933	-0.176

	C1	F2	Br3	Br4	Br5
C1		1.3357	1.9638	1.9638	1.9638
F2	1.3357		2.6964	2.6964	2.6964
Br3	1.9638	2.6964		3.2330	3.2330
Br4	1.9638	2.6964	3.2330		3.2330
Br5	1.9638	2.6964	3.2330	3.2330

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.101	F2	C1	Br4	108.101
F2	C1	Br5	108.101	Br3	C1	Br4	110.806
Br3	C1	Br5	110.806	Br4	C1	Br5	110.806

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: B3LYPultrafine/6-311G*

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	-0.092
2	F	-0.143
3	Br	0.078
4	Br	0.078
5	Br	0.078

	x	y	z	Total
	0.000	0.000	-0.502	0.502
CHELPG
AIM
ESP

<r²>	438.619
(<r²>)^1/2	20.943

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)