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	hartrees
Energy at 0K	-895.226023
Energy at 298.15K
HF Energy	-894.095515
Nuclear repulsion energy	244.916085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3170	3170
2	A	1334	1334
3	A	1202	1202
4	A	1097	1097
5	A	784	784
6	A	599	599
7	A	416	416
8	A	275	275
9	A	194	194

Atom	x (Å)	y (Å)	z (Å)
C1	0.983	0.473	0.418
H2	1.056	0.612	1.489
F3	1.262	1.639	-0.210
Cl4	2.150	-0.755	-0.071
I5	-1.035	-0.101	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0833	1.3533	1.7631	2.1427
H2	1.0833		1.9962	2.3451	2.6743
F3	1.3533	1.9962		2.5573	2.8883
Cl4	1.7631	2.3451	2.5573		3.2520
I5	2.1427	2.6743	2.8883	3.2520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.524	H2	C1	Cl4	108.588
H2	C1	I5	107.387	F3	C1	Cl4	109.586
F3	C1	I5	109.326	Cl4	C1	I5	112.374

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: QCISD(T)/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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