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	hartrees
Energy at 0K	-5283.443933
Energy at 298.15K
HF Energy	-5282.665791
Nuclear repulsion energy	482.898444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3035	0.02
2	A'	1353	1291	12.31
3	A'	1120	1068	164.77
4	A'	642	612	19.15
5	A'	370	353	0.25
6	A'	176	168	0.00
7	A"	1228	1172	75.39
8	A"	749	714	156.58
9	A"	308	293	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	-0.103	0.782	0.000
H2	-1.003	1.385	0.000
F3	0.978	1.582	0.000
Br4	-0.103	-0.290	1.603
Br5	-0.103	-0.290	-1.603

	C1	H2	F3	Br4	Br5
C1		1.0839	1.3445	1.9280	1.9280
H2	1.0839		1.9906	2.4870	2.4870
F3	1.3445	1.9906		2.6908	2.6908
Br4	1.9280	2.4870	2.6908		3.2051
Br5	1.9280	2.4870	2.6908	3.2051

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.649	H2	C1	Br4	108.027
H2	C1	Br5	108.027	F3	C1	Br4	109.323
F3	C1	Br5	109.323	Br4	C1	Br5	112.448

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: QCISD/6-311+G(3df,2p)

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: QCISD/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)