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	hartrees
Energy at 0K	-3167.809000
Energy at 298.15K	-3167.813697
HF Energy	-3167.233303
Nuclear repulsion energy	320.588279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3209	3056	5.06
2	A	1374	1308	23.02
3	A	1278	1217	80.90
4	A	1143	1088	166.75
5	A	822	783	172.74
6	A	668	636	56.43
7	A	430	410	1.70
8	A	315	300	0.18
9	A	233	222	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.582	0.456	0.419
Br2	-1.208	-0.184	-0.029
Cl3	1.828	-0.688	-0.069
F4	0.786	1.644	-0.205
H5	0.618	0.594	1.498

	C1	Br2	Cl3	F4	H5
C1		1.9524	1.7605	1.3578	1.0883
Br2	1.9524		3.0774	2.7108	2.5041
Cl3	1.7605	3.0774		2.5575	2.3586
F4	1.3578	2.7108	2.5575		2.0077
H5	1.0883	2.5041	2.3586	2.0077

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.857	Br2	C1	F4	108.627
Br2	C1	H5	107.450	Cl3	C1	F4	109.527
Cl3	C1	H5	109.502	F4	C1	H5	109.842

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: QCISD/6-31G*

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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