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	hartrees
Energy at 0K	-894.268757
Energy at 298.15K
HF Energy	-894.268757
Nuclear repulsion energy	244.750893

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	3160	3160	0.55	77.95	0.23	0.37
2	A	1326	1326	10.23	3.85	0.62	0.77
3	A	1190	1190	77.81	5.30	0.23	0.37
4	A	1115	1115	200.84	2.91	0.44	0.61
5	A	776	776	193.47	4.55	0.71	0.83
6	A	595	595	46.80	17.34	0.14	0.25
7	A	421	421	0.39	3.98	0.23	0.38
8	A	273	273	0.01	4.60	0.33	0.50
9	A	191	191	0.00	5.34	0.40	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.997	0.475	0.413
H2	1.061	0.609	1.488
F3	1.272	1.630	-0.210
Cl4	2.155	-0.755	-0.070
I5	-1.040	-0.100	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0853	1.3407	1.7574	2.1598
H2	1.0853		1.9927	2.3422	2.6801
F3	1.3407	1.9927		2.5473	2.8938
Cl4	1.7574	2.3422	2.5473		3.2618
I5	2.1598	2.6801	2.8938	3.2618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.003	H2	C1	Cl4	108.645
H2	C1	I5	106.615	F3	C1	Cl4	109.887
F3	C1	I5	109.281	Cl4	C1	I5	112.347

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	C	0.098
2	H	0.115
3	F	-0.141
4	Cl	-0.080
5	I	0.009

	x	y	z	Total
	-0.089	-0.030	1.119	1.123
CHELPG
AIM
ESP

	x	y	z
x	11.015	-0.329	0.120
y	-0.329	7.134	0.257
z	0.120	0.257	6.215

<r²>	198.199
(<r²>)^1/2	14.078