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	hartrees
Energy at 0K	-3272.285099
Energy at 298.15K	-3272.289126
HF Energy	-3272.285099
Nuclear repulsion energy	441.707361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1119	1071	292.82
2	A'	873	835	377.61
3	A'	657	628	11.28
4	A'	443	424	0.32
5	A'	342	327	0.14
6	A'	216	207	0.09
7	A"	1183	1132	192.15
8	A"	410	393	0.04
9	A"	296	283	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	0.682	0.000
Br2	0.547	-1.197	0.000
Cl3	-1.718	0.882	0.000
F4	0.547	1.267	1.074
F5	0.547	1.267	-1.074

	C1	Br2	Cl3	F4	F5
C1		1.9463	1.7678	1.3243	1.3243
Br2	1.9463		3.0737	2.6877	2.6877
Cl3	1.7678	3.0737		2.5356	2.5356
F4	1.3243	2.6877	2.5356		2.1484
F5	1.3243	2.6877	2.5356	2.1484

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.612	Br2	C1	F4	109.044
Br2	C1	F5	109.044	Cl3	C1	F4	109.336
Cl3	C1	F5	109.336	F4	C1	F5	108.410

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

using model chemistry: wB97X-D/aug-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	0.686
2	Br	0.014
3	Cl	-0.113
4	F	-0.294
5	F	-0.294

	x	y	z	Total
	-0.179	-0.392	0.000	0.431
CHELPG
AIM
ESP

	x	y	z
x	8.172	-1.153	0.000
y	-1.153	8.395	0.000
z	0.000	0.000	6.427

<r²>	209.789
(<r²>)^1/2	14.484

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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