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	hartrees
Energy at 0K	-7861.115040
Energy at 298.15K	-7861.123953
HF Energy	-7861.115040
Nuclear repulsion energy	992.134825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1122	1077	165.12
2	A₁	408	391	0.32
3	A₁	221	212	0.31
4	E	742	711	209.61
4	E	742	711	209.71
5	E	312	299	0.19
5	E	312	299	0.19
6	E	149	143	0.04
6	E	149	143	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.434
F2	0.000	0.000	1.763
Br3	0.000	1.837	-0.176
Br4	1.591	-0.919	-0.176
Br5	-1.591	-0.919	-0.176

	C1	F2	Br3	Br4	Br5
C1		1.3287	1.9358	1.9358	1.9358
F2	1.3287		2.6710	2.6710	2.6710
Br3	1.9358	2.6710		3.1819	3.1819
Br4	1.9358	2.6710	3.1819		3.1819
Br5	1.9358	2.6710	3.1819	3.1819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.376	F2	C1	Br4	108.376
F2	C1	Br5	108.376	Br3	C1	Br4	110.544
Br3	C1	Br5	110.544	Br4	C1	Br5	110.544

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: mPW1PW91/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	0.088
2	F	-0.108
3	Br	0.007
4	Br	0.007
5	Br	0.007

	x	y	z	Total
	0.000	0.000	-0.377	0.377
CHELPG
AIM
ESP

<r²>	426.597
(<r²>)^1/2	20.654

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)