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	hartrees
Energy at 0K	-892.970616
Energy at 298.15K
HF Energy	-892.097894
Nuclear repulsion energy	244.318710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3160	3160
2	A	1333	1333
3	A	1201	1201
4	A	1109	1109
5	A	783	783
6	A	600	600
7	A	416	416
8	A	275	275
9	A	193	193

Atom	x (Å)	y (Å)	z (Å)
C1	0.988	0.477	0.417
H2	1.062	0.613	1.490
F3	1.268	1.639	-0.210
Cl4	2.157	-0.757	-0.071
I5	-1.039	-0.101	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0843	1.3503	1.7680	2.1520
H2	1.0843		1.9970	2.3477	2.6822
F3	1.3503	1.9970		2.5591	2.8962
Cl4	1.7680	2.3477	2.5591		3.2633
I5	2.1520	2.6822	2.8962	3.2633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.738	H2	C1	Cl4	108.402
H2	C1	I5	107.298	F3	C1	Cl4	109.579
F3	C1	I5	109.432	Cl4	C1	I5	112.340

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: QCISD(T)/cc-pVTZ-PP

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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