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	hartrees
Energy at 0K	-3269.730748
Energy at 298.15K	-3269.734681
HF Energy	-3269.730748
Nuclear repulsion energy	442.265147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1106	1068	264.70
2	A'	827	798	391.44
3	A'	640	617	12.65
4	A'	427	412	1.10
5	A'	338	326	0.36
6	A'	208	201	0.01
7	A"	1184	1142	171.02
8	A"	397	383	0.31
9	A"	287	277	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.041	0.677	0.000
Br2	0.548	-1.186	0.000
Cl3	-1.722	0.872	0.000
F4	0.548	1.257	1.081
F5	0.548	1.257	-1.081

	C1	Br2	Cl3	F4	F5
C1		1.9310	1.7741	1.3268	1.3268
Br2	1.9310		3.0640	2.6710	2.6710
Cl3	1.7741	3.0640		2.5437	2.5437
F4	1.3268	2.6710	2.5437		2.1612
F5	1.3268	2.6710	2.5437	2.1612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.509	Br2	C1	F4	108.730
Br2	C1	F5	108.730	Cl3	C1	F4	109.382
Cl3	C1	F5	109.382	F4	C1	F5	109.068

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

using model chemistry: TPSSh/6-31G(2df,p)

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

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

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