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	hartrees
Energy at 0K	-3266.289736
Energy at 298.15K	-3266.293986
HF Energy	-3266.289736
Nuclear repulsion energy	447.918303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1257	1138	303.98
2	A'	971	879	417.89
3	A'	712	645	12.83
4	A'	481	436	0.10
5	A'	377	342	0.11
6	A'	235	213	0.01
7	A"	1351	1224	187.94
8	A"	444	402	0.46
9	A"	327	296

Atom	x (Å)	y (Å)	z (Å)
C1	0.043	0.661	0.000
Br2	0.541	-1.176	0.000
Cl3	-1.703	0.872	0.000
F4	0.541	1.242	1.055
F5	0.541	1.242	-1.055

	C1	Br2	Cl3	F4	F5
C1		1.9032	1.7586	1.3029	1.3029
Br2	1.9032		3.0373	2.6376	2.6376
Cl3	1.7586	3.0373		2.5068	2.5068
F4	1.3029	2.6376	2.5068		2.1098
F5	1.3029	2.6376	2.5068	2.1098

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.029	Br2	C1	F4	109.276
Br2	C1	F5	109.276	Cl3	C1	F4	109.028
Cl3	C1	F5	109.028	F4	C1	F5	108.124

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

using model chemistry: HF/6-31G(2df,p)

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	0.397
2	Br	0.029
3	Cl	-0.091
4	F	-0.168
5	F	-0.168

	x	y	z	Total
	-0.056	-0.347	0.000	0.352
CHELPG
AIM
ESP

	x	y	z
x	6.772	-1.128	0.000
y	-1.128	6.765	0.000
z	0.000	0.000	4.928

<r²>	205.032
(<r²>)^1/2	14.319

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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