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	hartrees
Energy at 0K	-895.003859
Energy at 298.15K
HF Energy	-894.096093
Nuclear repulsion energy	247.573917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3305	3305	0.50
2	A	1415	1415	14.80
3	A	1284	1284	93.72
4	A	1184	1184	194.06
5	A	846	846	172.24
6	A	643	643	30.45
7	A	442	442	0.61
8	A	296	296	0.58
9	A	207	207	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.970	0.467	0.411
H2	1.045	0.606	1.472
F3	1.246	1.618	-0.207
Cl4	2.133	-0.744	-0.070
I5	-1.025	-0.101	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0728	1.3348	1.7463	2.1183
H2	1.0728		1.9707	2.3197	2.6459
F3	1.3348	1.9707		2.5266	2.8545
Cl4	1.7463	2.3197	2.5266		3.2233
I5	2.1183	2.6459	2.8545	3.2233

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.400	H2	C1	Cl4	108.371
H2	C1	I5	107.453	F3	C1	Cl4	109.456
F3	C1	I5	109.411	Cl4	C1	I5	112.685

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: CISD/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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