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	hartrees
Energy at 0K	-5741.195452
Energy at 298.15K
HF Energy	-5741.195452
Nuclear repulsion energy	712.072299

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'	1050	1010	174.73	1.06	0.75	0.86
2	A'	713	686	269.02	3.80	0.63	0.78
3	A'	416	400	3.07	10.66	0.05	0.10
4	A'	318	306	0.28	5.53	0.68	0.81
5	A'	251	242	0.04	11.64	0.27	0.43
6	A'	154	148	0.01	5.86	0.69	0.81
7	A"	694	667	267.17	2.72	0.75	0.86
8	A"	287	276	0.02	5.04	0.75	0.86
9	A"	184	177	0.00	5.83	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.140	0.514	0.000
F2	-1.292	1.285	0.000
Cl3	1.310	1.658	0.000
Br4	-0.140	-0.612	1.633
Br5	-0.140	-0.612	-1.633

	C1	F2	Cl3	Br4	Br5
C1		1.3856	1.8475	1.9836	1.9836
F2	1.3856		2.6289	2.7550	2.7550
Cl3	1.8475	2.6289		3.1505	3.1505
Br4	1.9836	2.7550	3.1505		3.2657
Br5	1.9836	2.7550	3.1505	3.2657

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	107.948	F2	C1	Br4	108.405
F2	C1	Br5	108.405	Cl3	C1	Br4	110.589
Cl3	C1	Br5	110.589	Br4	C1	Br5	110.808

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: B3LYP/6-31G

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	-0.317
2	F	-0.224
3	Cl	0.144
4	Br	0.198
5	Br	0.198

	x	y	z	Total
	0.295	-0.843	0.000	0.893
CHELPG
AIM
ESP

	x	y	z
x	4.910	1.580	0.000
y	1.580	6.766	0.000
z	0.000	0.000	8.811

<r²>	358.905
(<r²>)^1/2	18.945

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)