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	hartrees
Energy at 0K	-3170.763003
Energy at 298.15K	-3170.767734
HF Energy	-3169.903138
Nuclear repulsion energy	322.729648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3191	3049	2.09
2	A	1361	1300	15.19
3	A	1254	1198	71.03
4	A	1145	1094	178.14
5	A	813	777	178.62
6	A	681	651	41.06
7	A	434	414	0.91
8	A	323	309	0.15
9	A	229	219	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.565	0.461	0.410
Br2	-1.198	-0.186	-0.028
Cl3	1.821	-0.682	-0.067
F4	0.773	1.638	-0.202
H5	0.609	0.594	1.483

	C1	Br2	Cl3	F4	H5
C1		1.9287	1.7640	1.3425	1.0820
Br2	1.9287		3.0600	2.6910	2.4814
Cl3	1.7640	3.0600		2.5493	2.3449
F4	1.3425	2.6910	2.5493		1.9889
H5	1.0820	2.4814	2.3449	1.9889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.850	Br2	C1	F4	109.391
Br2	C1	H5	107.674	Cl3	C1	F4	109.546
Cl3	C1	H5	108.575	F4	C1	H5	109.769

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: QCISD/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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