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	hartrees
Energy at 0K	-7860.291329
Energy at 298.15K	-7860.300194
HF Energy	-7860.291329
Nuclear repulsion energy	985.433751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1124	1084	191.64
2	A₁	399	385	0.59
3	A₁	218	210	0.28
4	E	724	699	237.29
4	E	724	699	237.26
5	E	305	294	0.72
5	E	305	294	0.72
6	E	149	144	0.05
6	E	149	144	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.439
F2	0.000	0.000	1.774
Br3	0.000	1.850	-0.177
Br4	1.602	-0.925	-0.177
Br5	-1.602	-0.925	-0.177

	C1	F2	Br3	Br4	Br5
C1		1.3353	1.9496	1.9496	1.9496
F2	1.3353		2.6887	2.6887	2.6887
Br3	1.9496	2.6887		3.2036	3.2036
Br4	1.9496	2.6887	3.2036		3.2036
Br5	1.9496	2.6887	3.2036	3.2036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.426	F2	C1	Br4	108.426
F2	C1	Br5	108.426	Br3	C1	Br4	110.496
Br3	C1	Br5	110.496	Br4	C1	Br5	110.496

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: B3PW91/cc-pVDZ

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	-0.085
2	F	-0.103
3	Br	0.063
4	Br	0.063
5	Br	0.063

	x	y	z	Total
	0.000	0.000	-0.383	0.383
CHELPG
AIM
ESP

	x	y	z
x	9.835	0.000	0.000
y	0.000	9.835	0.001
z	0.000	0.001	5.701

<r²>	431.599
(<r²>)^1/2	20.775

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)