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	hartrees
Energy at 0K	-5745.281548
Energy at 298.15K
HF Energy	-5745.034249
Nuclear repulsion energy	727.095099

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'	1111	1064	194.77	1.22	0.59	0.74
2	A'	798	765	243.85	2.68	0.66	0.80
3	A'	462	443	1.27	7.87	0.03	0.06
4	A'	342	328	0.20	3.59	0.54	0.71
5	A'	267	256	0.22	8.30	0.23	0.37
6	A'	162	155	0.05	3.58	0.64	0.78
7	A"	744	713	253.03	3.95	0.75	0.86
8	A"	307	295	0.40	3.25	0.75	0.86
9	A"	197	189	0.05	3.54	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.134	0.517	0.000
F2	-1.257	1.254	0.000
Cl3	1.266	1.613	0.000
Br4	-0.134	-0.597	1.609
Br5	-0.134	-0.597	-1.609

	C1	F2	Cl3	Br4	Br5
C1		1.3427	1.7782	1.9569	1.9569
F2	1.3427		2.5478	2.6970	2.6970
Cl3	1.7782	2.5478		3.0716	3.0716
Br4	1.9569	2.6970	3.0716		3.2174
Br5	1.9569	2.6970	3.0716	3.2174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.645	F2	C1	Br4	108.206
F2	C1	Br5	108.206	Cl3	C1	Br4	110.556
Cl3	C1	Br5	110.556	Br4	C1	Br5	110.587

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: B2PLYP=FULLultrafine/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	-0.002
2	F	-0.126
3	Cl	0.024
4	Br	0.052
5	Br	0.052

	x	y	z	Total
	0.270	-0.316	0.000	0.415
CHELPG
AIM
ESP

	x	y	z
x	5.890	1.288	-0.000
y	1.288	7.378	-0.002
z	-0.000	-0.002	9.231

<r²>	345.448
(<r²>)^1/2	18.586

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: B2PLYP=FULLultrafine/cc-pVDZ

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)