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	hartrees
Energy at 0K	-3267.134423
Energy at 298.15K	-3267.138389
HF Energy	-3267.134423
Nuclear repulsion energy	442.942627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1109	1097	336.11
2	A'	832	824	468.63
3	A'	647	640	17.33
4	A'	437	433	1.00
5	A'	331	328	1.28
6	A'	213	211	0.11
7	A"	1190	1177	230.57
8	A"	404	400	0.23
9	A"	289	286	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.038	0.676	0.000
Br2	0.545	-1.190	0.000
Cl3	-1.712	0.878	0.000
F4	0.545	1.260	1.072
F5	0.545	1.260	-1.072

	C1	Br2	Cl3	F4	F5
C1		1.9340	1.7615	1.3216	1.3216
Br2	1.9340		3.0610	2.6739	2.6739
Cl3	1.7615	3.0610		2.5276	2.5276
F4	1.3216	2.6739	2.5276		2.1443
F5	1.3216	2.6739	2.5276	2.1443

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.764	Br2	C1	F4	108.982
Br2	C1	F5	108.982	Cl3	C1	F4	109.307
Cl3	C1	F5	109.307	F4	C1	F5	108.436

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

using model chemistry: SVWN/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	0.110
2	Br	0.061
3	Cl	0.035
4	F	-0.103
5	F	-0.103

	x	y	z	Total
	-0.107	-0.303	0.000	0.321
CHELPG
AIM
ESP

	x	y	z
x	6.354	-1.379	0.000
y	-1.379	6.492	0.000
z	0.000	0.000	3.755

<r²>	208.965
(<r²>)^1/2	14.456

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

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

States and conformations

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