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	hartrees
Energy at 0K	-80.906482
Energy at 298.15K	-80.910534
HF Energy	-80.906482
Nuclear repulsion energy	96.349713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1146	1045	341.12
2	A'	937	855	371.66
3	A'	630	575	14.76
4	A'	441	403	3.73
5	A'	347	316	3.52
6	A'	224	204	0.02
7	A"	1201	1096	247.52
8	A"	405	370	2.77
9	A"	299	273	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.029	0.661	0.000
Br2	0.562	-1.216	0.000
Cl3	-1.761	0.909	0.000
F4	0.562	1.285	1.100
F5	0.562	1.285	-1.100

	C1	Br2	Cl3	F4	F5
C1		1.9512	1.8068	1.3726	1.3726
Br2	1.9512		3.1480	2.7323	2.7323
Cl3	1.8068	3.1480		2.5975	2.5975
F4	1.3726	2.7323	2.5975		2.2006
F5	1.3726	2.7323	2.5975	2.2006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.736	Br2	C1	F4	109.345
Br2	C1	F5	109.345	Cl3	C1	F4	108.799
Cl3	C1	F5	108.799	F4	C1	F5	106.567

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

using model chemistry: HF/CEP-121G

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	-0.008
2	Br	0.277
3	Cl	0.118
4	F	-0.193
5	F	-0.193

	x	y	z	Total
	-0.415	-1.494	0.000	1.551
CHELPG
AIM
ESP

	x	y	z
x	5.381	-1.553	0.000
y	-1.553	5.979	0.000
z	0.000	0.000	2.668

<r²>	113.635
(<r²>)^1/2	10.660

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

using model chemistry: HF/CEP-121G

States and conformations

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