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	hartrees
Energy at 0K	-7852.619575
Energy at 298.15K	-7852.628396
HF Energy	-7852.619575
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1062	1062	161.42
2	A₁	383	383	1.81
3	A₁	223	223	0.02
4	E	728	728	216.81
4	E	728	728	217.78
5	E	297	297	0.26
5	E	297	297	0.26
6	E	150	150	0.00
6	E	150	150	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.431
F2	0.000	0.000	1.817
Br3	0.000	1.861	-0.180
Br4	1.612	-0.931	-0.180
Br5	-1.612	-0.931	-0.180

	C1	F2	Br3	Br4	Br5
C1		1.3857	1.9593	1.9593	1.9593
F2	1.3857		2.7301	2.7301	2.7301
Br3	1.9593	2.7301		3.2241	3.2241
Br4	1.9593	2.7301	3.2241		3.2241
Br5	1.9593	2.7301	3.2241	3.2241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.183	F2	C1	Br4	108.183
F2	C1	Br5	108.183	Br3	C1	Br4	110.728
Br3	C1	Br5	110.728	Br4	C1	Br5	110.728

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: wB97X-D/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	-0.418
2	F	-0.235
3	Br	0.218
4	Br	0.218
5	Br	0.218

	x	y	z	Total
	0.000	0.000	-0.947	0.947
CHELPG
AIM
ESP

	x	y	z
x	8.555	0.000	0.000
y	0.000	8.545	0.001
z	0.000	0.001	4.053

<r²>	438.547
(<r²>)^1/2	20.942

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: wB97X-D/6-31G

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)