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	hartrees
Energy at 0K	-3170.688578
Energy at 298.15K	-3170.693308
HF Energy	-3169.837393
Nuclear repulsion energy	320.957874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3215	3046	3.09
2	A	1379	1307	23.70
3	A	1281	1213	89.36
4	A	1135	1076	197.03
5	A	815	772	178.94
6	A	675	640	46.62
7	A	436	413	1.24
8	A	324	307	0.23
9	A	229	217	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.570	0.459	0.411
Br2	-1.208	-0.186	-0.028
Cl3	1.837	-0.681	-0.067
F4	0.777	1.640	-0.202
H5	0.612	0.597	1.483

	C1	Br2	Cl3	F4	H5
C1		1.9418	1.7701	1.3462	1.0823
Br2	1.9418		3.0852	2.7023	2.4921
Cl3	1.7701	3.0852		2.5552	2.3537
F4	1.3462	2.7023	2.5552		1.9885
H5	1.0823	2.4921	2.3537	1.9885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.352	Br2	C1	F4	109.206
Br2	C1	H5	107.569	Cl3	C1	F4	109.407
Cl3	C1	H5	108.808	F4	C1	H5	109.449

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: CCSD=FULL/TZVP

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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