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	hartrees
Energy at 0K	-3253.720565
Energy at 298.15K	-3253.724461
HF Energy	-3253.101491
Nuclear repulsion energy	435.857383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1119	1075	223.80
2	A'	842	810	365.36
3	A'	606	583	17.77
4	A'	414	398	0.01
5	A'	332	319	0.56
6	A'	221	212	0.00
7	A"	1230	1183	126.40
8	A"	386	371	2.54
9	A"	280	269	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.038	0.676	0.000
Br2	0.552	-1.195	0.000
Cl3	-1.735	0.854	0.000
F4	0.552	1.292	1.115
F5	0.552	1.292	-1.115

	C1	Br2	Cl3	F4	F5
C1		1.9408	1.7825	1.3740	1.3740
Br2	1.9408		3.0711	2.7264	2.7264
Cl3	1.7825	3.0711		2.5823	2.5823
F4	1.3740	2.7264	2.5823		2.2309
F5	1.3740	2.7264	2.5823	2.2309

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.071	Br2	C1	F4	109.480
Br2	C1	F5	109.480	Cl3	C1	F4	109.105
Cl3	C1	F5	109.105	F4	C1	F5	108.557

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

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