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	hartrees
Energy at 0K	-3269.026563
Energy at 298.15K	-3269.030440
HF Energy	-3269.026563
Nuclear repulsion energy	440.131865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1080	1069	253.90
2	A'	799	791	385.14
3	A'	629	622	12.49
4	A'	419	414	1.80
5	A'	329	325	0.95
6	A'	205	203	0.02
7	A"	1159	1147	166.35
8	A"	391	387	0.21
9	A"	282	279	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.047	0.674	0.000
Br2	0.551	-1.190	0.000
Cl3	-1.733	0.872	0.000
F4	0.551	1.265	1.085
F5	0.551	1.265	-1.085

	C1	Br2	Cl3	F4	F5
C1		1.9308	1.7917	1.3336	1.3336
Br2	1.9308		3.0771	2.6835	2.6835
Cl3	1.7917	3.0771		2.5589	2.5589
F4	1.3336	2.6835	2.5589		2.1693
F5	1.3336	2.6835	2.5589	2.1693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.452	Br2	C1	F4	109.207
Br2	C1	F5	109.207	Cl3	C1	F4	109.047
Cl3	C1	F5	109.047	F4	C1	F5	108.841

All results from a given calculation for CBrClF₂ (Methane, bromochlorodifluoro-)

using model chemistry: PBEPBE/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	0.066
2	Br	0.030
3	Cl	-0.099
4	F	0.002
5	F	0.002

	x	y	z	Total
	0.162	-0.079	0.000	0.180
CHELPG
AIM
ESP

	x	y	z
x	7.467	-1.262	0.000
y	-1.262	7.462	0.000
z	0.000	0.000	5.323

<r²>	210.430
(<r²>)^1/2	14.506

All results from a given calculation for CBrClF2 (Methane, bromochlorodifluoro-)

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

States and conformations

All results from a given calculation for CBrClF₂ (Methane, bromochlorodifluoro-)