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	hartrees
Energy at 0K	-892.936290
Energy at 298.15K
HF Energy	-892.098206
Nuclear repulsion energy	245.141822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3188	3042	0.94
2	A	1356	1294	13.03
3	A	1226	1169	86.47
4	A	1135	1083	177.01
5	A	806	769	159.62
6	A	614	586	29.94
7	A	423	404	0.54
8	A	281	268	0.36
9	A	198	188	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.983	0.474	0.415
H2	1.058	0.612	1.486
F3	1.261	1.633	-0.209
Cl4	2.152	-0.753	-0.070
I5	-1.036	-0.101	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0820	1.3460	1.7627	2.1429
H2	1.0820		1.9894	2.3412	2.6737
F3	1.3460	1.9894		2.5507	2.8846
Cl4	1.7627	2.3412	2.5507		3.2541
I5	2.1429	2.6737	2.8846	3.2541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.559	H2	C1	Cl4	108.388
H2	C1	I5	107.390	F3	C1	Cl4	109.542
F3	C1	I5	109.412	Cl4	C1	I5	112.492

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: CCSD/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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