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	hartrees
Energy at 0K	-5682.887796
Energy at 298.15K
HF Energy	-5682.887796
Nuclear repulsion energy	699.615007

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'	1228	1136	127.23	0.87	0.70	0.83
2	A'	708	655	225.29	4.84	0.36	0.53
3	A'	432	400	8.73	8.44	0.01	0.03
4	A'	323	299	1.91	4.27	0.74	0.85
5	A'	240	222	0.68	7.30	0.28	0.44
6	A'	153	141	0.01	3.81	0.72	0.84
7	A"	752	696	235.32	1.12	0.75	0.86
8	A"	301	279	0.39	3.24	0.75	0.86
9	A"	171	158	0.87	3.84	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.088	0.522	0.000
F2	-0.445	1.795	0.000
Cl3	2.035	0.735	0.000
Br4	-0.445	-0.454	1.662
Br5	-0.445	-0.454	-1.662

	C1	F2	Cl3	Br4	Br5
C1		1.3808	1.9577	1.9998	1.9998
F2	1.3808		2.6964	2.7970	2.7970
Cl3	1.9577	2.6964		3.2128	3.2128
Br4	1.9998	2.7970	3.2128		3.3245
Br5	1.9998	2.7970	3.2128	3.3245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	106.454	F2	C1	Br4	110.317
F2	C1	Br5	110.317	Cl3	C1	Br4	108.546
Cl3	C1	Br5	108.546	Br4	C1	Br5	112.447

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: BLYP/STO-3G

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	0.036
2	F	0.013
3	Cl	-0.165
4	Br	0.058
5	Br	0.058

	x	y	z	Total
	-1.847	0.253	0.000	1.865
CHELPG
AIM
ESP

	x	y	z
x	4.224	1.113	0.000
y	1.113	2.643	0.000
z	0.000	0.000	5.635

<r²>	367.661
(<r²>)^1/2	19.174

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)