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	hartrees
Energy at 0K	-893.058134
Energy at 298.15K
HF Energy	-892.098160
Nuclear repulsion energy	244.892831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3183	3183
2	A	1346	1346
3	A	1208	1208
4	A	1115	1115
5	A	788	788
6	A	600	600
7	A	418	418
8	A	275	275
9	A	195	195

Atom	x (Å)	y (Å)	z (Å)
C1	0.988	0.476	0.417
H2	1.060	0.612	1.484
F3	1.267	1.635	-0.210
Cl4	2.150	-0.756	-0.070
I5	-1.037	-0.101	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0781	1.3472	1.7628	2.1495
H2	1.0781		1.9901	2.3405	2.6749
F3	1.3472	1.9901		2.5534	2.8912
Cl4	1.7628	2.3405	2.5534		3.2539
I5	2.1495	2.6749	2.8912	3.2539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.791	H2	C1	Cl4	108.537
H2	C1	I5	107.226	F3	C1	Cl4	109.654
F3	C1	I5	109.405	Cl4	C1	I5	112.178

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: QCISD(T)=FULL/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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