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	hartrees
Energy at 0K	-5286.167627
Energy at 298.15K
HF Energy	-5285.831813
Nuclear repulsion energy	481.884486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3186	3186	0.03	71.50	0.19	0.32
2	A'	1329	1329	11.08	4.64	0.35	0.52
3	A'	1082	1082	176.28	3.14	0.51	0.68
4	A'	628	628	22.39	14.34	0.06	0.11
5	A'	361	361	0.21	6.30	0.10	0.18
6	A'	170	170	0.01	2.87	0.34	0.51
7	A"	1202	1202	77.27	1.44	0.75	0.86
8	A"	713	713	187.15	4.42	0.75	0.86
9	A"	298	298	0.00	1.70	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.103	0.784	0.000
H2	-1.003	1.380	0.000
F3	0.979	1.588	0.000
Br4	-0.103	-0.291	1.606
Br5	-0.103	-0.291	-1.606

	C1	H2	F3	Br4	Br5
C1		1.0801	1.3483	1.9321	1.9321
H2	1.0801		1.9933	2.4865	2.4865
F3	1.3483	1.9933		2.6982	2.6982
Br4	1.9321	2.4865	2.6982		3.2111
Br5	1.9321	2.4865	2.6982	3.2111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.841	H2	C1	Br4	107.896
H2	C1	Br5	107.896	F3	C1	Br4	109.386
F3	C1	Br5	109.386	Br4	C1	Br5	112.397

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVTZ

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)