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	hartrees
Energy at 0K	-7482.837072
Energy at 298.15K
HF Energy	-7482.416733
Nuclear repulsion energy	408.944056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3261	3034	2.47
2	A	1392	1295	12.56
3	A	1297	1207	101.22
4	A	1130	1051	101.90
5	A	763	710	179.45
6	A	615	572	33.77
7	A	402	374	1.07
8	A	268	249	1.01
9	A	200	186	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	1.008	0.470	0.435
H2	1.086	0.595	1.506
F3	1.299	1.663	-0.213
Cl4	2.175	-0.770	-0.074
I5	-1.053	-0.100	-0.018

	C1	H2	F3	Cl4	I5
C1		1.0811	1.3882	1.7779	2.1850
H2	1.0811		2.0348	2.3550	2.7160
F3	1.3882	2.0348		2.5898	2.9453
Cl4	1.7779	2.3550	2.5898		3.2974
I5	2.1850	2.7160	2.9453	3.2974

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.370	H2	C1	Cl4	108.447
H2	C1	I5	107.666	F3	C1	Cl4	109.148
F3	C1	I5	108.983	Cl4	C1	I5	112.216

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: CID/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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