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	hartrees
Energy at 0K	-3269.892150
Energy at 298.15K	-3269.896228
HF Energy	-3268.795416
Nuclear repulsion energy	442.631159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1154	1102	285.66
2	A'	907	866	362.83
3	A'	663	633	10.62
4	A'	452	432	0.13
5	A'	348	333	0.04
6	A'	220	210	0.05
7	A"	1226	1171	193.97
8	A"	417	398	0.23
9	A"	301	288	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.037	0.672	0.000
Br2	0.546	-1.189	0.000
Cl3	-1.715	0.872	0.000
F4	0.546	1.264	1.073
F5	0.546	1.264	-1.073

	C1	Br2	Cl3	F4	F5
C1		1.9291	1.7628	1.3274	1.3274
Br2	1.9291		3.0588	2.6774	2.6774
Cl3	1.7628	3.0588		2.5329	2.5329
F4	1.3274	2.6774	2.5329		2.1469
F5	1.3274	2.6774	2.5329	2.1469

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.813	Br2	C1	F4	109.212
Br2	C1	F5	109.212	Cl3	C1	F4	109.290
Cl3	C1	F5	109.290	F4	C1	F5	107.941

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

using model chemistry: QCISD/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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All results from a given calculation for CBrClF2 (Methane, bromochlorodifluoro-)

using model chemistry: QCISD/cc-pVTZ

States and conformations

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