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	hartrees
Energy at 0K	-7851.219751
Energy at 298.15K	-7851.228598
HF Energy	-7851.219751
Nuclear repulsion energy	993.853630

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1146	1133	185.61
2	A₁	401	397	0.84
3	A₁	217	215	0.25
4	E	715	707	249.24
4	E	715	707	249.26
5	E	303	299	0.90
5	E	303	299	0.90
6	E	146	145	0.04
6	E	146	145	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.442
F2	0.000	0.000	1.768
Br3	0.000	1.832	-0.177
Br4	1.587	-0.916	-0.177
Br5	-1.587	-0.916	-0.177

	C1	F2	Br3	Br4	Br5
C1		1.3257	1.9340	1.9340	1.9340
F2	1.3257		2.6718	2.6718	2.6718
Br3	1.9340	2.6718		3.1738	3.1738
Br4	1.9340	2.6718	3.1738		3.1738
Br5	1.9340	2.6718	3.1738	3.1738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.657	F2	C1	Br4	108.657
F2	C1	Br5	108.657	Br3	C1	Br4	110.273
Br3	C1	Br5	110.273	Br4	C1	Br5	110.273

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: LSDA/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	-0.160
2	F	-0.041
3	Br	0.067
4	Br	0.067
5	Br	0.067

	x	y	z	Total
	0.000	0.000	-0.267	0.267
CHELPG
AIM
ESP

	x	y	z
x	9.805	0.000	0.000
y	0.000	9.804	0.001
z	0.000	0.001	5.727

<r²>	424.575
(<r²>)^1/2	20.605

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: LSDA/cc-pVDZ

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)