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	hartrees
Energy at 0K	-3630.153476
Energy at 298.15K	-3630.156853
HF Energy	-3630.153476
Nuclear repulsion energy	517.397158

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'	1069	1063	156.21	1.02	0.72	0.84
2	A'	708	705	262.97	2.08	0.69	0.82
3	A'	465	462	2.75	11.44	0.01	0.03
4	A'	318	317	0.89	2.98	0.71	0.83
5	A'	284	282	0.38	6.98	0.17	0.30
6	A'	202	201	0.06	3.25	0.60	0.75
7	A"	720	716	248.52	2.37	0.75	0.86
8	A"	365	363	2.07	3.46	0.75	0.86
9	A"	190	189	0.05	2.64	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.529	0.142	0.000
Br2	-1.417	0.342	0.000
F3	1.079	1.364	0.000
Cl4	1.079	-0.738	1.483
Cl5	1.079	-0.738	-1.483

	C1	Br2	F3	Cl4	Cl5
C1		1.9563	1.3401	1.8098	1.8098
Br2	1.9563		2.6969	3.0974	3.0974
F3	1.3401	2.6969		2.5721	2.5721
Cl4	1.8098	3.0974	2.5721		2.9667
Cl5	1.8098	3.0974	2.5721	2.9667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	108.345	Br2	C1	Cl4	110.599
Br2	C1	Cl5	110.599	F3	C1	Cl4	108.568
F3	C1	Cl5	108.568	Cl4	C1	Cl5	110.094

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: BLYP/6-31G(2df,p)

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	0.096
2	Br	0.069
3	F	-0.005
4	Cl	-0.080
5	Cl	-0.080

	x	y	z	Total
	-0.211	0.065	0.000	0.220
CHELPG
AIM
ESP

	x	y	z
x	9.464	-1.232	0.000
y	-1.232	6.979	0.000
z	0.000	0.000	9.109

<r²>	269.082
(<r²>)^1/2	16.404

All results from a given calculation for CBrCl2F (bromodichlorofluoromethane)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)