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	hartrees
Energy at 0K	-895.189505
Energy at 298.15K
HF Energy	-894.095826
Nuclear repulsion energy	245.726361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3196	3196	0.77
2	A	1358	1358	12.64
3	A	1227	1227	83.90
4	A	1127	1127	178.61
5	A	807	807	158.16
6	A	614	614	30.02
7	A	424	424	0.51
8	A	282	282	0.40
9	A	198	198	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.978	0.470	0.415
H2	1.052	0.610	1.485
F3	1.257	1.633	-0.209
Cl4	2.145	-0.751	-0.070
I5	-1.032	-0.101	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0814	1.3483	1.7580	2.1339
H2	1.0814		1.9890	2.3379	2.6658
F3	1.3483	1.9890		2.5479	2.8776
Cl4	1.7580	2.3379	2.5479		3.2436
I5	2.1339	2.6658	2.8776	3.2436

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.405	H2	C1	Cl4	108.492
H2	C1	I5	107.444	F3	C1	Cl4	109.516
F3	C1	I5	109.377	Cl4	C1	I5	112.545

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: CCSD/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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