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	hartrees
Energy at 0K	-7853.032495
Energy at 298.15K	-7853.041311
HF Energy	-7853.032495
Nuclear repulsion energy	982.352816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1128	1083	160.78
2	A₁	389	374	0.68
3	A₁	215	207	0.22
4	E	709	681	221.04
4	E	709	681	221.03
5	E	299	287	0.49
5	E	299	287	0.49
6	E	151	145	0.04
6	E	151	145	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.447
F2	0.000	0.000	1.784
Br3	0.000	1.855	-0.178
Br4	1.606	-0.927	-0.178
Br5	-1.606	-0.927	-0.178

	C1	F2	Br3	Br4	Br5
C1		1.3366	1.9572	1.9572	1.9572
F2	1.3366		2.6999	2.6999	2.6999
Br3	1.9572	2.6999		3.2122	3.2122
Br4	1.9572	2.6999	3.2122		3.2122
Br5	1.9572	2.6999	3.2122	3.2122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.641	F2	C1	Br4	108.641
F2	C1	Br5	108.641	Br3	C1	Br4	110.288
Br3	C1	Br5	110.288	Br4	C1	Br5	110.288

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: B3LYPultrafine/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	0.260
2	F	-0.207
3	Br	-0.018
4	Br	-0.018
5	Br	-0.018

	x	y	z	Total
	0.000	0.000	-0.288	0.288
CHELPG
AIM
ESP

	x	y	z
x	10.486	0.000	0.000
y	0.000	10.486	-0.000
z	0.000	-0.000	6.532

<r²>	433.854
(<r²>)^1/2	20.829

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: B3LYPultrafine/6-31G**

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)