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	hartrees
Energy at 0K	-3170.789751
Energy at 298.15K	-3170.794482
HF Energy	-3169.906182
Nuclear repulsion energy	323.176876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3189	3070	0.34
2	A	1354	1303	12.62
3	A	1259	1211	63.90
4	A	1125	1083	169.85
5	A	814	784	171.28
6	A	684	659	37.44
7	A	433	417	0.74
8	A	323	310	0.27
9	A	230	221	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.562	0.458	0.413
Br2	-1.195	-0.186	-0.028
Cl3	1.818	-0.681	-0.067
F4	0.770	1.638	-0.202
H5	0.608	0.595	1.486

	C1	Br2	Cl3	F4	H5
C1		1.9229	1.7625	1.3469	1.0826
Br2	1.9229		3.0537	2.6869	2.4804
Cl3	1.7625	3.0537		2.5485	2.3463
F4	1.3469	2.6869	2.5485		1.9916
H5	1.0826	2.4804	2.3463	1.9916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.836	Br2	C1	F4	109.255
Br2	C1	H5	107.947	Cl3	C1	F4	109.367
Cl3	C1	H5	108.756	F4	C1	H5	109.650

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: QCISD/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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