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	hartrees
Energy at 0K	-7482.904825
Energy at 298.15K
HF Energy	-7482.415711
Nuclear repulsion energy	405.740618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3159	3036	3.54
2	A	1350	1297	11.76
3	A	1251	1202	93.89
4	A	1086	1043	94.30
5	A	723	695	167.11
6	A	588	566	34.98
7	A	386	371	1.07
8	A	256	246	0.58
9	A	192	184	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	1.019	0.477	0.438
H2	1.095	0.598	1.518
F3	1.312	1.677	-0.215
Cl4	2.188	-0.779	-0.075
I5	-1.061	-0.100	-0.018

	C1	H2	F3	Cl4	I5
C1		1.0888	1.3977	1.7913	2.2057
H2	1.0888		2.0532	2.3726	2.7366
F3	1.3977	2.0532		2.6120	2.9706
Cl4	1.7913	2.3726	2.6120		3.3196
I5	2.2057	2.7366	2.9706	3.3196

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.715	H2	C1	Cl4	108.457
H2	C1	I5	107.430	F3	C1	Cl4	109.362
F3	C1	I5	108.984	Cl4	C1	I5	111.887

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: QCISD/3-21G*

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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