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	hartrees
Energy at 0K	-892.800793
Energy at 298.15K
HF Energy	-892.098531
Nuclear repulsion energy	246.818895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3288	3288	0.59
2	A	1410	1410	15.06
3	A	1278	1278	95.75
4	A	1188	1188	191.48
5	A	842	842	172.19
6	A	640	640	30.14
7	A	440	440	0.64
8	A	294	294	0.54
9	A	206	206	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.975	0.471	0.411
H2	1.051	0.609	1.474
F3	1.251	1.620	-0.208
Cl4	2.141	-0.745	-0.070
I5	-1.029	-0.101	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0741	1.3338	1.7521	2.1282
H2	1.0741		1.9722	2.3243	2.6559
F3	1.3338	1.9722		2.5312	2.8633
Cl4	1.7521	2.3243	2.5312		3.2360
I5	2.1282	2.6559	2.8633	3.2360

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.509	H2	C1	Cl4	108.248
H2	C1	I5	107.450	F3	C1	Cl4	109.468
F3	C1	I5	109.448	Cl4	C1	I5	112.657

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: CID/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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