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	hartrees
Energy at 0K	-7851.846478
Energy at 298.15K	-7851.855377
HF Energy	-7851.846478
Nuclear repulsion energy	992.842628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1154	1101	158.70
2	A₁	402	384	0.60
3	A₁	223	213	0.19
4	E	737	703	218.19
4	E	737	703	218.15
5	E	307	293	0.18
5	E	307	293	0.18
6	E	155	148	0.02
6	E	155	148	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.443
F2	0.000	0.000	1.774
Br3	0.000	1.833	-0.177
Br4	1.588	-0.917	-0.177
Br5	-1.588	-0.917	-0.177

	C1	F2	Br3	Br4	Br5
C1		1.3319	1.9354	1.9354	1.9354
F2	1.3319		2.6779	2.6779	2.6779
Br3	1.9354	2.6779		3.1756	3.1756
Br4	1.9354	2.6779	3.1756		3.1756
Br5	1.9354	2.6779	3.1756	3.1756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.682	F2	C1	Br4	108.682
F2	C1	Br5	108.682	Br3	C1	Br4	110.249
Br3	C1	Br5	110.249	Br4	C1	Br5	110.249

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: HSEh1PBE/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	0.221
2	F	-0.205
3	Br	-0.005
4	Br	-0.005
5	Br	-0.005

	x	y	z	Total
	0.000	0.000	-0.312	0.312
CHELPG
AIM
ESP

<r²>	425.268
(<r²>)^1/2	20.622

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)