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	hartrees
Energy at 0K	-7518.322910
Energy at 298.15K
HF Energy	-7518.322910
Nuclear repulsion energy	408.640389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3160	3055	2.06
2	A	1333	1288	16.04
3	A	1195	1155	102.02
4	A	1086	1050	217.67
5	A	732	708	228.22
6	A	571	552	59.43
7	A	410	397	0.64
8	A	264	255	0.39
9	A	188	182	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	1.013	0.480	0.417
H2	1.083	0.613	1.491
F3	1.289	1.641	-0.211
Cl4	2.199	-0.758	-0.071
I5	-1.059	-0.102	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0846	1.3479	1.7821	2.1963
H2	1.0846		1.9992	2.3587	2.7156
F3	1.3479	1.9992		2.5690	2.9307
Cl4	1.7821	2.3587	2.5690		3.3240
I5	2.1963	2.7156	2.9307	3.3240

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.073	H2	C1	Cl4	108.259
H2	C1	I5	106.768	F3	C1	Cl4	109.543
F3	C1	I5	109.217	Cl4	C1	I5	112.928

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: B3LYPultrafine/6-311G**

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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Number	Element	Mulliken
1	C	-0.069
2	H	0.203
3	F	-0.177
4	Cl	-0.022
5	I	0.064

	x	y	z	Total
	-0.230	-0.037	1.284	1.305
CHELPG
AIM
ESP

	x	y	z
x	10.445	-0.423	0.141
y	-0.423	5.983	0.360
z	0.141	0.360	4.863

<r²>	236.610
(<r²>)^1/2	15.382