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	hartrees
Energy at 0K	-7482.519347
Energy at 298.15K
HF Energy	-7482.236233
Nuclear repulsion energy	400.440987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3250	3059	4.55
2	A	1362	1282	22.84
3	A	1244	1171	116.74
4	A	1127	1061	124.86
5	A	691	650	181.70
6	A	581	547	24.94
7	A	358	337	2.49
8	A	271	255	0.45
9	A	184	174	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.973	0.525	0.441
H2	1.091	0.635	1.511
F3	1.267	1.704	-0.221
Cl4	2.265	-0.770	-0.071
I5	-1.073	-0.114	-0.018

	C1	H2	F3	Cl4	I5
C1		1.0819	1.3839	1.8998	2.1916
H2	1.0819		2.0430	2.4198	2.7529
F3	1.3839	2.0430		2.6719	2.9700
Cl4	1.8998	2.4198	2.6719		3.4023
I5	2.1916	2.7529	2.9700	3.4023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	111.305	H2	C1	Cl4	105.167
H2	C1	I5	109.784	F3	C1	Cl4	107.882
F3	C1	I5	110.279	Cl4	C1	I5	112.326

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: CISD/3-21G

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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