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	hartrees
Energy at 0K	-5748.999445
Energy at 298.15K
HF Energy	-5748.999445
Nuclear repulsion energy	721.504202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	1016	1016	167.07	3.37	0.50	0.66
2	A'	728	728	240.01	5.22	0.61	0.76
3	A'	442	442	0.63	12.00	0.02	0.04
4	A'	325	325	1.11	3.13	0.42	0.59
5	A'	255	255	0.83	9.02	0.11	0.20
6	A'	154	154	0.15	2.79	0.54	0.70
7	A"	674	674	252.71	6.72	0.75	0.86
8	A"	289	289	2.28	2.98	0.75	0.86
9	A"	189	189	0.31	2.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.134	0.524	0.000
F2	-1.268	1.264	0.000
Cl3	1.270	1.626	0.000
Br4	-0.134	-0.602	1.622
Br5	-0.134	-0.602	-1.622

	C1	F2	Cl3	Br4	Br5
C1		1.3541	1.7846	1.9745	1.9745
F2	1.3541		2.5634	2.7201	2.7201
Cl3	1.7846	2.5634		3.0928	3.0928
Br4	1.9745	2.7201	3.0928		3.2439
Br5	1.9745	2.7201	3.0928	3.2439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.738	F2	C1	Br4	108.160
F2	C1	Br5	108.160	Cl3	C1	Br4	110.618
Cl3	C1	Br5	110.618	Br4	C1	Br5	110.461

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: B97D3/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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Number	Element	Mulliken
1	C	-0.468
2	F	-0.264
3	Cl	0.075
4	Br	0.329
5	Br	0.329

	x	y	z	Total
	0.300	-0.191	0.000	0.356
CHELPG
AIM
ESP

	x	y	z
x	9.340	1.229	0.000
y	1.229	10.835	0.000
z	0.000	0.000	12.832

<r²>	350.332
(<r²>)^1/2	18.717

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)