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	hartrees
Energy at 0K	-7774.001615
Energy at 298.15K	-7774.010276
HF Energy	-7774.001615
Nuclear repulsion energy	961.731484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1241	1241	129.99
2	A₁	418	418	7.71
3	A₁	221	221	0.33
4	E	768	768	214.54
4	E	767	767	214.62
5	E	308	308	0.29
5	E	308	308	0.29
6	E	147	147	0.15
6	E	147	147	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.458
F2	0.000	0.000	1.836
Br3	0.000	1.892	-0.183
Br4	1.639	-0.946	-0.183
Br5	-1.639	-0.946	-0.183

	C1	F2	Br3	Br4	Br5
C1		1.3779	1.9978	1.9978	1.9978
F2	1.3779		2.7671	2.7671	2.7671
Br3	1.9978	2.7671		3.2773	3.2773
Br4	1.9978	2.7671	3.2773		3.2773
Br5	1.9978	2.7671	3.2773	3.2773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.718	F2	C1	Br4	108.718
F2	C1	Br5	108.718	Br3	C1	Br4	110.214
Br3	C1	Br5	110.214	Br4	C1	Br5	110.214

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: TPSSh/STO-3G

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	-0.015
2	F	-0.021
3	Br	0.012
4	Br	0.012
5	Br	0.012

	x	y	z	Total
	0.000	0.000	0.680	0.680
CHELPG
AIM
ESP

<r²>	447.870
(<r²>)^1/2	21.163

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: TPSSh/STO-3G

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)