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	hartrees
Energy at 0K	-5278.905756
Energy at 298.15K
HF Energy	-5278.009632
Nuclear repulsion energy	491.839184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3210	3022	0.90
2	A'	1375	1294	13.11
3	A'	1160	1092	136.95
4	A'	663	625	17.09
5	A'	380	358	0.36
6	A'	187	176	0.01
7	A"	1256	1182	65.46
8	A"	785	739	139.76
9	A"	318	300	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	-0.103	0.775	0.000
H2	-0.995	1.391	0.000
F3	0.984	1.558	0.000
Br4	-0.103	-0.287	1.566
Br5	-0.103	-0.287	-1.566

	C1	H2	F3	Br4	Br5
C1		1.0838	1.3397	1.8918	1.8918
H2	1.0838		1.9861	2.4619	2.4619
F3	1.3397	1.9861		2.6524	2.6524
Br4	1.8918	2.4619	2.6524		3.1321
Br5	1.8918	2.4619	2.6524	3.1321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.620	H2	C1	Br4	108.588
H2	C1	Br5	108.588	F3	C1	Br4	109.136
F3	C1	Br5	109.136	Br4	C1	Br5	111.748

All results from a given calculation for CHBr₂F (dibromofluoromethane)

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

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)