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	hartrees
Energy at 0K	-3271.493737
Energy at 298.15K	-3271.497594
HF Energy	-3271.493737
Nuclear repulsion energy	436.947052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1051	1043	292.36
2	A'	794	789	405.63
3	A'	624	619	13.02
4	A'	419	416	1.33
5	A'	315	313	1.98
6	A'	203	202	0.12
7	A"	1117	1109	199.15
8	A"	393	390	0.06
9	A"	279	277

Atom	x (Å)	y (Å)	z (Å)
C1	0.037	0.688	0.000
Br2	0.552	-1.206	0.000
Cl3	-1.733	0.884	0.000
F4	0.552	1.281	1.087
F5	0.552	1.281	-1.087

	C1	Br2	Cl3	F4	F5
C1		1.9633	1.7814	1.3406	1.3406
Br2	1.9633		3.0974	2.7144	2.7144
Cl3	1.7814	3.0974		2.5614	2.5614
F4	1.3406	2.7144	2.5614		2.1735
F5	1.3406	2.7144	2.5614	2.1735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.518	Br2	C1	F4	109.031
Br2	C1	F5	109.031	Cl3	C1	F4	109.443
Cl3	C1	F5	109.443	F4	C1	F5	108.314

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

using model chemistry: PBEPBE/cc-pVTZ

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	0.276
2	Br	-0.031
3	Cl	-0.061
4	F	-0.092
5	F	-0.092

	x	y	z	Total
	-0.151	-0.170	0.000	0.228
CHELPG
AIM
ESP

	x	y	z
x	7.262	-1.344	0.000
y	-1.344	7.607	0.000
z	0.000	0.000	4.983

<r²>	213.615
(<r²>)^1/2	14.616

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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