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	hartrees
Energy at 0K	-3170.861871
Energy at 298.15K	-3170.866620
HF Energy	-3169.903362
Nuclear repulsion energy	323.825655

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3215	3048	1.76
2	A	1374	1303	14.72
3	A	1264	1199	68.86
4	A	1155	1095	177.75
5	A	822	780	176.01
6	A	686	650	39.35
7	A	437	415	0.94
8	A	327	310	0.20
9	A	231	219	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.563	0.459	0.409
Br2	-1.194	-0.185	-0.028
Cl3	1.815	-0.680	-0.067
F4	0.770	1.633	-0.201
H5	0.607	0.591	1.476

	C1	Br2	Cl3	F4	H5
C1		1.9220	1.7580	1.3391	1.0758
Br2	1.9220		3.0494	2.6821	2.4712
Cl3	1.7580	3.0494		2.5412	2.3355
F4	1.3391	2.6821	2.5412		1.9814
H5	1.0758	2.4712	2.3355	1.9814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.844	Br2	C1	F4	109.358
Br2	C1	H5	107.670	Cl3	C1	F4	109.534
Cl3	C1	H5	108.606	F4	C1	H5	109.794

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: CCSD=FULL/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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