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	hartrees
Energy at 0K	-5283.346924
Energy at 298.15K
HF Energy	-5282.659451
Nuclear repulsion energy	480.851906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3191	0.05
2	A'	1321	1321	12.19
3	A'	1083	1083	160.74
4	A'	636	636	17.94
5	A'	365	365	0.30
6	A'	176	176	0.00
7	A"	1215	1215	76.21
8	A"	742	742	154.35
9	A"	305	305	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	-0.105	0.781	0.000
H2	-1.006	1.402	0.000
F3	1.001	1.582	0.000
Br4	-0.105	-0.290	1.608
Br5	-0.105	-0.290	-1.608

	C1	H2	F3	Br4	Br5
C1		1.0942	1.3658	1.9323	1.9323
H2	1.0942		2.0149	2.5025	2.5025
F3	1.3658	2.0149		2.7049	2.7049
Br4	1.9323	2.5025	2.7049		3.2157
Br5	1.9323	2.5025	2.7049	3.2157

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.490	H2	C1	Br4	108.354
H2	C1	Br5	108.354	F3	C1	Br4	108.988
F3	C1	Br5	108.988	Br4	C1	Br5	112.628

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: CCSD=FULL/daug-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: CCSD=FULL/daug-cc-pVDZ

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)