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	hartrees
Energy at 0K	-3170.458125
Energy at 298.15K	-3170.462849
HF Energy	-3169.778199
Nuclear repulsion energy	320.960428

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3219	3219	0.22
2	A	1334	1334	12.93
3	A	1248	1248	64.74
4	A	1109	1109	167.41
5	A	808	808	171.87
6	A	677	677	38.41
7	A	431	431	0.79
8	A	324	324	0.29
9	A	232	232	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.566	0.458	0.419
Br2	-1.203	-0.187	-0.029
Cl3	1.832	-0.684	-0.069
F4	0.774	1.648	-0.204
H5	0.614	0.596	1.502

	C1	Br2	Cl3	F4	H5
C1		1.9360	1.7728	1.3595	1.0927
Br2	1.9360		3.0755	2.7035	2.5017
Cl3	1.7728	3.0755		2.5643	2.3637
F4	1.3595	2.7035	2.5643		2.0110
H5	1.0927	2.5017	2.3637	2.0110

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.968	Br2	C1	F4	108.989
Br2	C1	H5	108.128	Cl3	C1	F4	109.194
Cl3	C1	H5	108.827	F4	C1	H5	109.710

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: MP3=FULL/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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