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	hartrees
Energy at 0K	-3170.571932
Energy at 298.15K	-3170.576650
HF Energy	-3169.837257
Nuclear repulsion energy	320.656692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3211	3067	3.31
2	A	1375	1314	23.78
3	A	1275	1218	90.31
4	A	1126	1076	197.75
5	A	809	773	181.01
6	A	672	642	48.67
7	A	434	414	1.23
8	A	322	307	0.18
9	A	228	218	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.571	0.459	0.412
Br2	-1.208	-0.187	-0.028
Cl3	1.839	-0.682	-0.067
F4	0.777	1.642	-0.202
H5	0.612	0.598	1.485

	C1	Br2	Cl3	F4	H5
C1		1.9431	1.7723	1.3483	1.0833
Br2	1.9431		3.0876	2.7046	2.4944
Cl3	1.7723	3.0876		2.5585	2.3568
F4	1.3483	2.7046	2.5585		1.9911
H5	1.0833	2.4944	2.3568	1.9911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.331	Br2	C1	F4	109.178
Br2	C1	H5	107.599	Cl3	C1	F4	109.391
Cl3	C1	H5	108.840	F4	C1	H5	109.453

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: QCISD/TZVP

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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