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	hartrees
Energy at 0K	-3272.208978
Energy at 298.15K	-3272.212914
HF Energy	-3272.208978
Nuclear repulsion energy	437.605850

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1094	1057	343.73
2	A'	832	804	458.20
3	A'	642	620	14.47
4	A'	430	416	1.24
5	A'	324	313	1.23
6	A'	213	206	0.12
7	A"	1166	1126	236.83
8	A"	404	391	0.29
9	A"	292	282	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	0.685	0.000
Br2	0.551	-1.208	0.000
Cl3	-1.732	0.898	0.000
F4	0.551	1.273	1.080
F5	0.551	1.273	-1.080

	C1	Br2	Cl3	F4	F5
C1		1.9612	1.7841	1.3322	1.3322
Br2	1.9612		3.1070	2.7061	2.7061
Cl3	1.7841	3.1070		2.5539	2.5539
F4	1.3322	2.7061	2.5539		2.1596
F5	1.3322	2.7061	2.5539	2.1596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.030	Br2	C1	F4	109.006
Br2	C1	F5	109.006	Cl3	C1	F4	109.214
Cl3	C1	F5	109.214	F4	C1	F5	108.296

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

using model chemistry: B3LYP/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	0.269
2	Br	0.039
3	Cl	-0.003
4	F	-0.152
5	F	-0.152

	x	y	z	Total
	-0.111	-0.418	0.000	0.432
CHELPG
AIM
ESP

	x	y	z
x	6.306	-1.426	0.000
y	-1.426	6.480	0.000
z	0.000	0.000	3.703

<r²>	213.792
(<r²>)^1/2	14.622

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

using model chemistry: B3LYP/6-311G*

States and conformations

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