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	hartrees
Energy at 0K	-892.938155
Energy at 298.15K
HF Energy	-892.098146
Nuclear repulsion energy	245.015599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3185	3185	1.02
2	A	1353	1353	12.77
3	A	1223	1223	87.21
4	A	1128	1128	177.07
5	A	803	803	161.78
6	A	613	613	30.87
7	A	422	422	0.53
8	A	281	281	0.31
9	A	197	197	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.983	0.474	0.416
H2	1.058	0.613	1.486
F3	1.262	1.635	-0.210
Cl4	2.153	-0.753	-0.070
I5	-1.036	-0.101	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0822	1.3474	1.7636	2.1437
H2	1.0822		1.9906	2.3425	2.6747
F3	1.3474	1.9906		2.5524	2.8863
Cl4	1.7636	2.3425	2.5524		3.2553
I5	2.1437	2.6747	2.8863	3.2553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.551	H2	C1	Cl4	108.417
H2	C1	I5	107.396	F3	C1	Cl4	109.535
F3	C1	I5	109.406	Cl4	C1	I5	112.479

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: QCISD/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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