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	hartrees
Energy at 0K	-7843.988869
Energy at 298.15K	-7843.997707
HF Energy	-7843.988869
Nuclear repulsion energy	999.141344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1161	1139	155.44
2	A₁	398	390	0.95
3	A₁	219	215	0.17
4	E	712	699	232.01
4	E	712	699	232.01
5	E	299	294	0.40
5	E	299	294	0.40
6	E	151	148	0.02
6	E	151	148	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.448
F2	0.000	0.000	1.772
Br3	0.000	1.820	-0.178
Br4	1.576	-0.910	-0.178
Br5	-1.576	-0.910	-0.178

	C1	F2	Br3	Br4	Br5
C1		1.3242	1.9247	1.9247	1.9247
F2	1.3242		2.6674	2.6674	2.6674
Br3	1.9247	2.6674		3.1526	3.1526
Br4	1.9247	2.6674	3.1526		3.1526
Br5	1.9247	2.6674	3.1526	3.1526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.970	F2	C1	Br4	108.970
F2	C1	Br5	108.970	Br3	C1	Br4	109.968
Br3	C1	Br5	109.968	Br4	C1	Br5	109.968

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: LSDA/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	0.171
2	F	-0.144
3	Br	-0.009
4	Br	-0.009
5	Br	-0.009

	x	y	z	Total
	0.000	0.000	-0.184	0.184
CHELPG
AIM
ESP

<r²>	419.955
(<r²>)^1/2	20.493

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: LSDA/6-31G**

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)