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	hartrees
Energy at 0K	-3272.279938
Energy at 298.15K	-3272.283973
HF Energy	-3272.279938
Nuclear repulsion energy	441.767706

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1129	1079	310.70
2	A'	875	837	400.16
3	A'	659	630	12.27
4	A'	444	425	0.38
5	A'	343	328	0.23
6	A'	217	207	0.05
7	A"	1198	1145	210.41
8	A"	412	394	0.17
9	A"	297	284	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	0.683	0.000
Br2	0.546	-1.197	0.000
Cl3	-1.717	0.882	0.000
F4	0.546	1.266	1.074
F5	0.546	1.266	-1.074

	C1	Br2	Cl3	F4	F5
C1		1.9466	1.7677	1.3235	1.3235
Br2	1.9466		3.0735	2.6870	2.6870
Cl3	1.7677	3.0735		2.5348	2.5348
F4	1.3235	2.6870	2.5348		2.1485
F5	1.3235	2.6870	2.5348	2.1485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.589	Br2	C1	F4	109.011
Br2	C1	F5	109.011	Cl3	C1	F4	109.327
Cl3	C1	F5	109.327	F4	C1	F5	108.519

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

using model chemistry: wB97X-D/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	0.330
2	Br	-0.033
3	Cl	-0.065
4	F	-0.116
5	F	-0.116

	x	y	z	Total
	-0.135	-0.319	0.000	0.346
CHELPG
AIM
ESP

	x	y	z
x	6.896	-1.237	0.000
y	-1.237	7.193	0.000
z	0.000	0.000	4.790

<r²>	209.633
(<r²>)^1/2	14.479

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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