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	hartrees
Energy at 0K	-7854.706392
Energy at 298.15K	-7854.715521
HF Energy	-7854.706392
Nuclear repulsion energy	994.906510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1229	1112	156.96
2	A₁	435	394	0.05
3	A₁	237	214	0.24
4	E	837	757	185.87
4	E	837	757	185.87
5	E	338	306	0.13
5	E	338	306	0.13
6	E	163	147	0.02
6	E	163	147	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.427
F2	0.000	0.000	1.741
Br3	0.000	1.835	-0.174
Br4	1.589	-0.917	-0.174
Br5	-1.589	-0.917	-0.174

	C1	F2	Br3	Br4	Br5
C1		1.3138	1.9307	1.9307	1.9307
F2	1.3138		2.6517	2.6517	2.6517
Br3	1.9307	2.6517		3.1782	3.1782
Br4	1.9307	2.6517	3.1782		3.1782
Br5	1.9307	2.6517	3.1782	3.1782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.121	F2	C1	Br4	108.121
F2	C1	Br5	108.121	Br3	C1	Br4	110.787
Br3	C1	Br5	110.787	Br4	C1	Br5	110.787

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: HF/daug-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	1.079
2	F	-0.859
3	Br	-0.073
4	Br	-0.073
5	Br	-0.073

	x	y	z	Total
	0.000	0.000	-0.485	0.485
CHELPG
AIM
ESP

<r²>	425.596
(<r²>)^1/2	20.630

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)