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	hartrees
Energy at 0K	-7445.590697
Energy at 298.15K
HF Energy	-7445.590697
Nuclear repulsion energy	403.668466

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	3313	2926	1.60	44.05	0.37	0.55
2	A	1394	1231	57.89	4.99	0.75	0.86
3	A	1264	1116	68.80	4.08	0.74	0.85
4	A	1260	1112	82.40	6.96	0.75	0.86
5	A	793	700	162.02	8.81	0.51	0.67
6	A	628	555	38.17	11.56	0.22	0.36
7	A	411	363	5.30	4.63	0.31	0.47
8	A	294	260	0.96	4.01	0.60	0.75
9	A	191	168	1.31	5.62	0.56	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.973	0.527	0.408
H2	1.078	0.614	1.517
F3	1.303	1.699	-0.210
Cl4	2.218	-0.788	-0.067
I5	-1.063	-0.107	-0.017

	C1	H2	F3	Cl4	I5
C1		1.1172	1.3657	1.8715	2.1752
H2	1.1172		2.0521	2.4024	2.7314
F3	1.3657	2.0521		2.6534	2.9834
Cl4	1.8715	2.4024	2.6534		3.3519
I5	2.1752	2.7314	2.9834	3.3519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	111.083	H2	C1	Cl4	104.128
H2	C1	I5	107.740	F3	C1	Cl4	109.101
F3	C1	I5	112.817	Cl4	C1	I5	111.632

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: B1B95/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	0.012
2	H	0.129
3	F	-0.034
4	Cl	-0.160
5	I	0.054

	x	y	z	Total
	-0.450	1.470	1.165	1.929
CHELPG
AIM
ESP

	x	y	z
x	5.688	-0.035	0.209
y	-0.035	2.400	0.261
z	0.209	0.261	1.217

<r²>	239.147
(<r²>)^1/2	15.464