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	hartrees
Energy at 0K	-3272.176444
Energy at 298.15K	-3272.180218
HF Energy	-3272.176444
Nuclear repulsion energy	431.300095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1025	1021	331.75
2	A'	764	761	457.16
3	A'	609	607	13.58
4	A'	401	400	4.06
5	A'	299	298	3.44
6	A'	201	200	0.18
7	A"	1092	1088	230.42
8	A"	384	383	0.16
9	A"	276	275	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.042	0.698	0.000
Br2	0.559	-1.227	0.000
Cl3	-1.757	0.913	0.000
F4	0.559	1.291	1.094
F5	0.559	1.291	-1.094

	C1	Br2	Cl3	F4	F5
C1		1.9936	1.8119	1.3477	1.3477
Br2	1.9936		3.1541	2.7460	2.7460
Cl3	1.8119	3.1541		2.5894	2.5894
F4	1.3477	2.7460	2.5894		2.1876
F5	1.3477	2.7460	2.5894	2.1876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.871	Br2	C1	F4	109.004
Br2	C1	F5	109.004	Cl3	C1	F4	109.197
Cl3	C1	F5	109.197	F4	C1	F5	108.506

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

using model chemistry: BLYP/6-311G**

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	0.232
2	Br	0.034
3	Cl	-0.005
4	F	-0.130
5	F	-0.130

	x	y	z	Total
	-0.020	-0.309	0.000	0.310
CHELPG
AIM
ESP

	x	y	z
x	6.676	-1.553	0.000
y	-1.553	6.869	0.000
z	0.000	0.000	3.846

<r²>	219.394
(<r²>)^1/2	14.812

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

using model chemistry: BLYP/6-311G**

States and conformations

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