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	hartrees
Energy at 0K	-7772.596608
Energy at 298.15K	-7772.605216
HF Energy	-7772.596608
Nuclear repulsion energy	958.512871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1230	1124	129.25
2	A₁	414	378	7.39
3	A₁	217	199	0.23
4	E	738	675	227.21
4	E	738	675	227.22
5	E	303	277	0.87
5	E	303	277	0.87
6	E	145	133	0.10
6	E	145	133	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.461
F2	0.000	0.000	1.842
Br3	0.000	1.898	-0.184
Br4	1.644	-0.949	-0.184
Br5	-1.644	-0.949	-0.184

	C1	F2	Br3	Br4	Br5
C1		1.3811	2.0051	2.0051	2.0051
F2	1.3811		2.7769	2.7769	2.7769
Br3	2.0051	2.7769		3.2880	3.2880
Br4	2.0051	2.7769	3.2880		3.2880
Br5	2.0051	2.7769	3.2880	3.2880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.782	F2	C1	Br4	108.782
F2	C1	Br5	108.782	Br3	C1	Br4	110.152
Br3	C1	Br5	110.152	Br4	C1	Br5	110.152

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: PBEPBE/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	-0.029
2	F	0.001
3	Br	0.009
4	Br	0.009
5	Br	0.009

	x	y	z	Total
	0.000	0.000	0.794	0.794
CHELPG
AIM
ESP

<r²>	450.492
(<r²>)^1/2	21.225

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: PBEPBE/STO-3G

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)