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	hartrees
Energy at 0K	-5283.309495
Energy at 298.15K
HF Energy	-5282.657533
Nuclear repulsion energy	480.660884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	3077	0.03
2	A'	1322	1275	12.89
3	A'	1093	1055	158.66
4	A'	638	616	18.32
5	A'	367	354	0.33
6	A'	178	171	0.00
7	A"	1222	1178	74.30
8	A"	747	720	148.68
9	A"	306	295	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	-0.105	0.783	0.000
H2	-1.009	1.403	0.000
F3	0.998	1.588	0.000
Br4	-0.105	-0.291	1.608
Br5	-0.105	-0.291	-1.608

	C1	H2	F3	Br4	Br5
C1		1.0956	1.3650	1.9337	1.9337
H2	1.0956		2.0150	2.5041	2.5041
F3	1.3650	2.0150		2.7076	2.7076
Br4	1.9337	2.5041	2.7076		3.2154
Br5	1.9337	2.5041	2.7076	3.2154

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.463	H2	C1	Br4	108.308
H2	C1	Br5	108.308	F3	C1	Br4	109.117
F3	C1	Br5	109.117	Br4	C1	Br5	112.486

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: CCD/aug-cc-pVDZ

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: CCD/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)