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	hartrees
Energy at 0K	-895.183983
Energy at 298.15K
HF Energy	-894.095899
Nuclear repulsion energy	245.945652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3200	3200	0.73
2	A	1364	1364	13.07
3	A	1233	1233	82.96
4	A	1139	1139	176.94
5	A	814	814	154.70
6	A	618	618	29.21
7	A	427	427	0.55
8	A	284	284	0.47
9	A	199	199	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.977	0.470	0.414
H2	1.051	0.610	1.484
F3	1.255	1.631	-0.209
Cl4	2.144	-0.750	-0.070
I5	-1.031	-0.101	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0813	1.3463	1.7566	2.1321
H2	1.0813		1.9872	2.3364	2.6637
F3	1.3463	1.9872		2.5453	2.8747
Cl4	1.7566	2.3364	2.5453		3.2413
I5	2.1321	2.6637	2.8747	3.2413

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.407	H2	C1	Cl4	108.478
H2	C1	I5	107.417	F3	C1	Cl4	109.525
F3	C1	I5	109.385	Cl4	C1	I5	112.565

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: CCD/Def2TZVPP

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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