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	hartrees
Energy at 0K	-7854.444396
Energy at 298.15K	-7854.453546
HF Energy	-7854.444396
Nuclear repulsion energy	993.787397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1200	1093	153.14
2	A₁	435	396	0.00
3	A₁	239	218	0.27
4	E	839	764	184.57
4	E	839	764	184.57
5	E	337	306	0.18
5	E	337	306	0.18
6	E	165	150	0.02
6	E	165	150	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.424
F2	0.000	0.000	1.751
Br3	0.000	1.836	-0.174
Br4	1.590	-0.918	-0.174
Br5	-1.590	-0.918	-0.174

	C1	F2	Br3	Br4	Br5
C1		1.3264	1.9309	1.9309	1.9309
F2	1.3264		2.6599	2.6599	2.6599
Br3	1.9309	2.6599		3.1798	3.1798
Br4	1.9309	2.6599	3.1798		3.1798
Br5	1.9309	2.6599	3.1798	3.1798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.053	F2	C1	Br4	108.053
F2	C1	Br5	108.053	Br3	C1	Br4	110.851
Br3	C1	Br5	110.851	Br4	C1	Br5	110.851

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: HF/aug-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	-0.908
2	F	-0.404
3	Br	0.437
4	Br	0.437
5	Br	0.437

	x	y	z	Total
	0.000	0.000	-0.552	0.552
CHELPG
AIM
ESP

<r²>	426.392
(<r²>)^1/2	20.649

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)