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	hartrees
Energy at 0K	-3168.181221
Energy at 298.15K	-3168.185961
HF Energy	-3167.429220
Nuclear repulsion energy	324.402093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3200	3032	2.11
2	A	1375	1302	15.84
3	A	1265	1198	66.71
4	A	1161	1100	149.35
5	A	816	774	173.64
6	A	692	655	33.19
7	A	433	410	0.80
8	A	329	311	0.32
9	A	232	220	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.550	0.463	0.415
Br2	-1.188	-0.190	-0.028
Cl3	1.818	-0.673	-0.067
F4	0.750	1.633	-0.204
H5	0.609	0.598	1.491

	C1	Br2	Cl3	F4	H5
C1		1.9089	1.7695	1.3389	1.0862
Br2	1.9089		3.0450	2.6661	2.4815
Cl3	1.7695	3.0450		2.5457	2.3467
F4	1.3389	2.6661	2.5457		1.9915
H5	1.0862	2.4815	2.3467	1.9915

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.694	Br2	C1	F4	109.091
Br2	C1	H5	108.765	Cl3	C1	F4	109.179
Cl3	C1	H5	108.123	F4	C1	H5	109.973

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: QCISD/6-31G(2df,p)

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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