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	hartrees
Energy at 0K	-892.803478
Energy at 298.15K
HF Energy	-892.098528
Nuclear repulsion energy	246.742415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3286	3286	0.62
2	A	1408	1408	14.92
3	A	1276	1276	96.28
4	A	1184	1184	191.85
5	A	839	839	173.30
6	A	639	639	30.51
7	A	439	439	0.63
8	A	293	293	0.51
9	A	205	205	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.975	0.471	0.411
H2	1.052	0.609	1.474
F3	1.251	1.621	-0.208
Cl4	2.142	-0.746	-0.070
I5	-1.030	-0.101	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0742	1.3346	1.7527	2.1286
H2	1.0742		1.9730	2.3249	2.6565
F3	1.3346	1.9730		2.5323	2.8642
Cl4	1.7527	2.3249	2.5323		3.2367
I5	2.1286	2.6565	2.8642	3.2367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.512	H2	C1	Cl4	108.247
H2	C1	I5	107.458	F3	C1	Cl4	109.469
F3	C1	I5	109.447	Cl4	C1	I5	112.647

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: CISD/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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