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	hartrees
Energy at 0K	-7861.325495
Energy at 298.15K	-7861.334396
HF Energy	-7861.325495
Nuclear repulsion energy	991.343607

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1124	1079	190.91
2	A₁	404	388	0.59
3	A₁	220	211	0.33
4	E	742	713	241.73
4	E	742	712	241.17
5	E	310	298	0.20
5	E	310	298	0.20
6	E	149	143	0.06
6	E	149	143	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.427
F2	0.000	0.000	1.757
Br3	0.000	1.840	-0.175
Br4	1.594	-0.920	-0.175
Br5	-1.594	-0.920	-0.175

	C1	F2	Br3	Br4	Br5
C1		1.3293	1.9361	1.9361	1.9361
F2	1.3293		2.6677	2.6677	2.6677
Br3	1.9361	2.6677		3.1870	3.1870
Br4	1.9361	2.6677	3.1870		3.1870
Br5	1.9361	2.6677	3.1870	3.1870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.126	F2	C1	Br4	108.126
F2	C1	Br5	108.126	Br3	C1	Br4	110.782
Br3	C1	Br5	110.782	Br4	C1	Br5	110.782

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: B1B95/6-311G**

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	-0.143
2	F	-0.139
3	Br	0.094
4	Br	0.094
5	Br	0.094

	x	y	z	Total
	0.000	0.000	-0.564	0.564
CHELPG
AIM
ESP

<r²>	427.472
(<r²>)^1/2	20.675

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)