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	hartrees
Energy at 0K	-7860.659951
Energy at 298.15K	-7860.668774
HF Energy	-7860.659951
Nuclear repulsion energy	981.294951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1087	1051	166.69
2	A₁	393	380	0.34
3	A₁	213	206	0.38
4	E	708	684	215.41
4	E	708	684	215.40
5	E	302	292	0.58
5	E	302	292	0.58
6	E	145	141	0.07
6	E	145	141	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.436
F2	0.000	0.000	1.771
Br3	0.000	1.859	-0.177
Br4	1.610	-0.930	-0.177
Br5	-1.610	-0.930	-0.177

	C1	F2	Br3	Br4	Br5
C1		1.3354	1.9575	1.9575	1.9575
F2	1.3354		2.6927	2.6927	2.6927
Br3	1.9575	2.6927		3.2204	3.2204
Br4	1.9575	2.6927	3.2204		3.2204
Br5	1.9575	2.6927	3.2204	3.2204

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.229	F2	C1	Br4	108.229
F2	C1	Br5	108.229	Br3	C1	Br4	110.684
Br3	C1	Br5	110.684	Br4	C1	Br5	110.684

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: B3LYPultrafine/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	0.103
2	F	-0.120
3	Br	0.006
4	Br	0.006
5	Br	0.006

	x	y	z	Total
	0.000	0.000	-0.385	0.385
CHELPG
AIM
ESP

	x	y	z
x	11.657	0.000	0.000
y	0.000	11.657	-0.000
z	0.000	-0.000	7.346

<r²>	435.840
(<r²>)^1/2	20.877

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)