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	hartrees
Energy at 0K	-3269.632786
Energy at 298.15K	-3269.636549
HF Energy	-3269.632786
Nuclear repulsion energy	431.792154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1061	1053	292.57
2	A'	771	765	422.10
3	A'	606	601	15.10
4	A'	401	398	2.77
5	A'	299	297	2.75
6	A'	201	199	0.04
7	A"	1149	1140	198.46
8	A"	380	378	0.40
9	A"	273	271	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.044	0.703	0.000
Br2	0.559	-1.222	0.000
Cl3	-1.757	0.900	0.000
F4	0.559	1.292	1.096
F5	0.559	1.292	-1.096

	C1	Br2	Cl3	F4	F5
C1		1.9924	1.8120	1.3469	1.3469
Br2	1.9924		3.1415	2.7427	2.7427
Cl3	1.8120	3.1415		2.5923	2.5923
F4	1.3469	2.7427	2.5923		2.1921
F5	1.3469	2.7427	2.5923	2.1921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.242	Br2	C1	F4	108.902
Br2	C1	F5	108.902	Cl3	C1	F4	109.414
Cl3	C1	F5	109.414	F4	C1	F5	108.931

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

using model chemistry: BLYP/6-31G**

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	0.394
2	Br	-0.055
3	Cl	0.018
4	F	-0.179
5	F	-0.179

	x	y	z	Total
	0.103	-0.057	0.000	0.118
CHELPG
AIM
ESP

	x	y	z
x	6.685	-1.380	0.000
y	-1.380	6.784	0.000
z	0.000	0.000	4.257

<r²>	217.974
(<r²>)^1/2	14.764

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

using model chemistry: BLYP/6-31G**

States and conformations

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