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	hartrees
Energy at 0K	-7859.503140
Energy at 298.15K	-7859.512047
HF Energy	-7859.503140
Nuclear repulsion energy	991.701038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1119	1076	164.09
2	A₁	407	391	0.31
3	A₁	220	212	0.32
4	E	739	710	210.12
4	E	739	710	210.19
5	E	311	299	0.21
5	E	311	299	0.21
6	E	149	143	0.04
6	E	149	143	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.434
F2	0.000	0.000	1.764
Br3	0.000	1.838	-0.176
Br4	1.592	-0.919	-0.176
Br5	-1.592	-0.919	-0.176

	C1	F2	Br3	Br4	Br5
C1		1.3296	1.9365	1.9365	1.9365
F2	1.3296		2.6721	2.6721	2.6721
Br3	1.9365	2.6721		3.1833	3.1833
Br4	1.9365	2.6721	3.1833		3.1833
Br5	1.9365	2.6721	3.1833	3.1833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.365	F2	C1	Br4	108.365
F2	C1	Br5	108.365	Br3	C1	Br4	110.555
Br3	C1	Br5	110.555	Br4	C1	Br5	110.555

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: HSEh1PBE/cc-pVTZ

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	0.082
2	F	-0.105
3	Br	0.008
4	Br	0.008
5	Br	0.008

	x	y	z	Total
	0.000	0.000	-0.377	0.377
CHELPG
AIM
ESP

<r²>	427.065
(<r²>)^1/2	20.666

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)