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	hartrees
Energy at 0K	-7482.839690
Energy at 298.15K
HF Energy	-7482.416682
Nuclear repulsion energy	408.732565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3256	3043	2.58
2	A	1389	1298	12.61
3	A	1294	1209	102.06
4	A	1125	1051	103.60
5	A	759	709	181.22
6	A	614	573	33.58
7	A	400	374	1.06
8	A	267	249	0.95
9	A	199	186	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	1.008	0.471	0.435
H2	1.086	0.595	1.506
F3	1.300	1.664	-0.213
Cl4	2.176	-0.771	-0.074
I5	-1.053	-0.100	-0.018

	C1	H2	F3	Cl4	I5
C1		1.0813	1.3892	1.7795	2.1859
H2	1.0813		2.0362	2.3562	2.7171
F3	1.3892	2.0362		2.5921	2.9471
Cl4	1.7795	2.3562	2.5921		3.2985
I5	2.1859	2.7171	2.9471	3.2985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.402	H2	C1	Cl4	108.419
H2	C1	I5	107.676	F3	C1	Cl4	109.163
F3	C1	I5	109.003	Cl4	C1	I5	112.169

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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