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	hartrees
Energy at 0K	-3268.796475
Energy at 298.15K	-3268.800725
HF Energy	-3268.796475
Nuclear repulsion energy	445.537018

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1248	1136	340.91
2	A'	968	881	439.15
3	A'	714	650	13.31
4	A'	483	439	0.15
5	A'	370	336	0.05
6	A'	234	213	0.03
7	A"	1337	1217	222.81
8	A"	444	404	0.41
9	A"	324	295	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	0.673	0.000
Br2	0.542	-1.188	0.000
Cl3	-1.704	0.882	0.000
F4	0.542	1.252	1.055
F5	0.542	1.252	-1.055

	C1	Br2	Cl3	F4	F5
C1		1.9276	1.7559	1.3046	1.3046
Br2	1.9276		3.0541	2.6584	2.6584
Cl3	1.7559	3.0541		2.5093	2.5093
F4	1.3046	2.6584	2.5093		2.1110
F5	1.3046	2.6584	2.5093	2.1110

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.937	Br2	C1	F4	109.143
Br2	C1	F5	109.143	Cl3	C1	F4	109.262
Cl3	C1	F5	109.262	F4	C1	F5	108.011

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

using model chemistry: HF/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	0.513
2	Br	-0.065
3	Cl	-0.103
4	F	-0.172
5	F	-0.172

	x	y	z	Total
	-0.233	-0.392	0.000	0.456
CHELPG
AIM
ESP

	x	y	z
x	6.485	-1.207	0.000
y	-1.207	6.781	0.000
z	0.000	0.000	4.526

<r²>	207.282
(<r²>)^1/2	14.397

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

using model chemistry: HF/cc-pVTZ

States and conformations

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