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	hartrees
Energy at 0K	-3272.271704
Energy at 298.15K	-3272.275646
HF Energy	-3272.271704
Nuclear repulsion energy	436.994773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1083	1046	339.47
2	A'	831	802	429.37
3	A'	643	620	13.86
4	A'	430	415	0.94
5	A'	323	312	1.16
6	A'	210	203	0.14
7	A"	1146	1106	237.86
8	A"	405	391	0.16
9	A"	292	282	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	0.686	0.000
Br2	0.553	-1.209	0.000
Cl3	-1.737	0.896	0.000
F4	0.553	1.276	1.080
F5	0.553	1.276	-1.080

	C1	Br2	Cl3	F4	F5
C1		1.9633	1.7884	1.3336	1.3336
Br2	1.9633		3.1104	2.7099	2.7099
Cl3	1.7884	3.1104		2.5598	2.5598
F4	1.3336	2.7099	2.5598		2.1596
F5	1.3336	2.7099	2.5598	2.1596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.921	Br2	C1	F4	109.067
Br2	C1	F5	109.067	Cl3	C1	F4	109.291
Cl3	C1	F5	109.291	F4	C1	F5	108.127

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

using model chemistry: B3LYP/TZVP

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	0.251
2	Br	-0.020
3	Cl	-0.008
4	F	-0.112
5	F	-0.112

	x	y	z	Total
	-0.263	-0.501	0.000	0.566
CHELPG
AIM
ESP

	x	y	z
x	6.652	-1.360	0.000
y	-1.360	7.111	0.000
z	0.000	0.000	4.395

<r²>	214.321
(<r²>)^1/2	14.640

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

using model chemistry: B3LYP/TZVP

States and conformations

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