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	hartrees
Energy at 0K	-3170.781979
Energy at 298.15K	-3170.786727
HF Energy	-3169.906330
Nuclear repulsion energy	323.638860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3196	3058	0.26
2	A	1363	1305	13.42
3	A	1267	1213	63.28
4	A	1145	1095	167.36
5	A	824	789	166.32
6	A	690	660	35.69
7	A	437	418	0.80
8	A	326	312	0.37
9	A	231	221	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.562	0.458	0.412
Br2	-1.193	-0.186	-0.028
Cl3	1.816	-0.679	-0.067
F4	0.768	1.635	-0.202
H5	0.607	0.594	1.485

	C1	Br2	Cl3	F4	H5
C1		1.9206	1.7603	1.3433	1.0823
Br2	1.9206		3.0500	2.6823	2.4776
Cl3	1.7603	3.0500		2.5441	2.3438
F4	1.3433	2.6823	2.5441		1.9888
H5	1.0823	2.4776	2.3438	1.9888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.840	Br2	C1	F4	109.256
Br2	C1	H5	107.906	Cl3	C1	F4	109.387
Cl3	C1	H5	108.730	F4	C1	H5	109.691

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: CCD/aug-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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