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	hartrees
Energy at 0K	-5278.899246
Energy at 298.15K
HF Energy	-5278.009731
Nuclear repulsion energy	492.023611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3239	3239	0.48
2	A'	1382	1382	13.36
3	A'	1174	1174	138.85
4	A'	665	665	17.29
5	A'	382	382	0.38
6	A'	187	187	0.01
7	A"	1260	1260	64.56
8	A"	787	787	139.35
9	A"	320	320	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	-0.103	0.775	0.000
H2	-0.995	1.387	0.000
F3	0.981	1.557	0.000
Br4	-0.103	-0.286	1.566
Br5	-0.103	-0.286	-1.566

	C1	H2	F3	Br4	Br5
C1		1.0819	1.3363	1.8917	1.8917
H2	1.0819		1.9828	2.4594	2.4594
F3	1.3363	1.9828		2.6503	2.6503
Br4	1.8917	2.4594	2.6503		3.1322
Br5	1.8917	2.4594	2.6503	3.1322

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.712	H2	C1	Br4	108.512
H2	C1	Br5	108.512	F3	C1	Br4	109.163
F3	C1	Br5	109.163	Br4	C1	Br5	111.757

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: MP3=FULL/6-31G(2df,p)

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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All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: MP3=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)