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	hartrees
Energy at 0K	-5283.841979
Energy at 298.15K
HF Energy	-5282.843581
Nuclear repulsion energy	485.213439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3050	0.65
2	A'	1362	1292	14.62
3	A'	1148	1089	170.63
4	A'	644	611	18.99
5	A'	372	352	0.34
6	A'	176	167	0.01
7	A"	1230	1166	80.39
8	A"	755	716	158.80
9	A"	310	294	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	-0.102	0.780	0.000
H2	-1.000	1.370	0.000
F3	0.971	1.584	0.000
Br4	-0.102	-0.290	1.593
Br5	-0.102	-0.290	-1.593

	C1	H2	F3	Br4	Br5
C1		1.0754	1.3405	1.9188	1.9188
H2	1.0754		1.9827	2.4702	2.4702
F3	1.3405	1.9827		2.6830	2.6830
Br4	1.9188	2.4702	2.6830		3.1861
Br5	1.9188	2.4702	2.6830	3.1861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.823	H2	C1	Br4	107.829
H2	C1	Br5	107.829	F3	C1	Br4	109.534
F3	C1	Br5	109.534	Br4	C1	Br5	112.244

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)