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	hartrees
Energy at 0K	-3632.509682
Energy at 298.15K	-3632.513046
HF Energy	-3632.509682
Nuclear repulsion energy	512.384632

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'	1029	1025	210.43	0.51	0.73	0.84
2	A'	690	688	318.99	3.12	0.67	0.81
3	A'	461	459	3.17	10.11	0.02	0.04
4	A'	314	313	1.77	6.18	0.64	0.78
5	A'	279	278	1.81	8.93	0.25	0.40
6	A'	204	203	0.59	6.07	0.59	0.74
7	A"	719	716	309.10	1.74	0.75	0.86
8	A"	366	365	3.53	5.41	0.75	0.86
9	A"	191	190	0.10	5.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.548	0.133	0.000
Br2	-1.441	0.343	0.000
F3	1.096	1.366	0.000
Cl4	1.096	-0.738	1.489
Cl5	1.096	-0.738	-1.489

	C1	Br2	F3	Cl4	Cl5
C1		1.9993	1.3502	1.8104	1.8104
Br2	1.9993		2.7357	3.1341	3.1341
F3	1.3502	2.7357		2.5780	2.5780
Cl4	1.8104	3.1341	2.5780		2.9787
Cl5	1.8104	3.1341	2.5780	2.9787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	107.947	Br2	C1	Cl4	110.610
Br2	C1	Cl5	110.610	F3	C1	Cl4	108.434
F3	C1	Cl5	108.434	Cl4	C1	Cl5	110.711

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: BLYP/6-311G**

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	-0.057
2	Br	0.080
3	F	-0.119
4	Cl	0.048
5	Cl	0.048

	x	y	z	Total
	-0.306	-0.214	0.000	0.373
CHELPG
AIM
ESP

	x	y	z
x	8.663	-1.481	0.000
y	-1.481	5.542	0.000
z	0.000	0.000	8.216

<r²>	274.827
(<r²>)^1/2	16.578

All results from a given calculation for CBrCl2F (bromodichlorofluoromethane)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)