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	hartrees
Energy at 0K	-7441.283167
Energy at 298.15K
HF Energy	-7441.283167
Nuclear repulsion energy	408.747860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3582	2925	0.84	43.66	0.39	0.56
2	A	1528	1248	51.04	7.43	0.71	0.83
3	A	1416	1156	108.83	7.96	0.74	0.85
4	A	1345	1098	45.84	5.79	0.70	0.82
5	A	936	764	145.51	14.02	0.66	0.79
6	A	695	568	34.58	18.59	0.20	0.33
7	A	444	362	6.32	4.52	0.31	0.48
8	A	318	259	1.36	3.65	0.55	0.71
9	A	217	177	1.91	5.07	0.58	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.960	0.499	0.412
H2	1.070	0.610	1.504
F3	1.283	1.673	-0.209
Cl4	2.198	-0.769	-0.068
I5	-1.052	-0.106	-0.018

	C1	H2	F3	Cl4	I5
C1		1.1028	1.3668	1.8359	2.1439
H2	1.1028		2.0266	2.3762	2.7068
F3	1.3668	2.0266		2.6115	2.9409
Cl4	1.8359	2.3762	2.6115		3.3171
I5	2.1439	2.7068	2.9409	3.3171

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.834	H2	C1	Cl4	105.169
H2	C1	I5	108.672	F3	C1	Cl4	108.368
F3	C1	I5	111.883	Cl4	C1	I5	112.686

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: HF/STO-3G

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	0.057
2	H	0.113
3	F	-0.102
4	Cl	-0.162
5	I	0.095

	x	y	z	Total
	-0.774	1.021	1.297	1.823
CHELPG
AIM
ESP

	x	y	z
x	5.347	-0.088	0.221
y	-0.088	2.111	0.284
z	0.221	0.284	1.201

<r²>	234.527
(<r²>)^1/2	15.314