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	hartrees
Energy at 0K	-3269.479098
Energy at 298.15K	-3269.483118
HF Energy	-3268.641547
Nuclear repulsion energy	439.557735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1075	1031	271.56
2	A'	884	847	360.60
3	A'	631	605	7.64
4	A'	443	424	0.11
5	A'	344	330	0.01
6	A'	223	214	0.17
7	A"	1122	1076	179.06
8	A"	413	396	0.00
9	A"	297	285	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.029	0.667	0.000
Br2	0.550	-1.192	0.000
Cl3	-1.725	0.869	0.000
F4	0.550	1.275	1.091
F5	0.550	1.275	-1.091

	C1	Br2	Cl3	F4	F5
C1		1.9308	1.7656	1.3529	1.3529
Br2	1.9308		3.0695	2.6975	2.6975
Cl3	1.7656	3.0695		2.5549	2.5549
F4	1.3529	2.6975	2.5549		2.1822
F5	1.3529	2.6975	2.5549	2.1822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.204	Br2	C1	F4	109.197
Br2	C1	F5	109.197	Cl3	C1	F4	109.310
Cl3	C1	F5	109.310	F4	C1	F5	107.508

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

using model chemistry: MP2/aug-cc-pVDZ

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: MP2/aug-cc-pVDZ

States and conformations

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