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	hartrees
Energy at 0K	-5742.402790
Energy at 298.15K
HF Energy	-5741.563909
Nuclear repulsion energy	730.472800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1087	1087	138.63
2	A'	837	837	174.21
3	A'	472	472	0.27
4	A'	351	351	0.15
5	A'	277	277	0.31
6	A'	168	168	0.08
7	A"	791	791	177.95
8	A"	318	318	0.18
9	A"	204	204	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.130	0.504	0.000
F2	-1.269	1.243	0.000
Cl3	1.253	1.614	0.000
Br4	-0.130	-0.595	1.599
Br5	-0.130	-0.595	-1.599

	C1	F2	Cl3	Br4	Br5
C1		1.3583	1.7739	1.9397	1.9397
F2	1.3583		2.5497	2.6894	2.6894
Cl3	1.7739	2.5497		3.0577	3.0577
Br4	1.9397	2.6894	3.0577		3.1970
Br5	1.9397	2.6894	3.0577	3.1970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.246	F2	C1	Br4	107.967
F2	C1	Br5	107.967	Cl3	C1	Br4	110.770
Cl3	C1	Br5	110.770	Br4	C1	Br5	110.994

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: CCSD=FULL/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 CBr2ClF (dibromochlorofluoromethane)

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

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)