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	hartrees
Energy at 0K	-7444.052122
Energy at 298.15K
HF Energy	-7444.052122
Nuclear repulsion energy	403.218320

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	3323	2934	1.79	43.46	0.38	0.55
2	A	1398	1234	57.69	4.87	0.75	0.86
3	A	1269	1120	65.33	6.15	0.75	0.86
4	A	1265	1117	86.66	4.63	0.74	0.85
5	A	798	705	162.67	8.66	0.50	0.67
6	A	631	557	38.92	11.45	0.22	0.37
7	A	413	365	5.28	4.64	0.31	0.47
8	A	295	261	1.00	4.00	0.60	0.75
9	A	194	171	1.27	5.61	0.56	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.977	0.526	0.409
H2	1.079	0.614	1.518
F3	1.305	1.699	-0.211
Cl4	2.221	-0.788	-0.067
I5	-1.065	-0.107	-0.017

	C1	H2	F3	Cl4	I5
C1		1.1180	1.3664	1.8713	2.1797
H2	1.1180		2.0539	2.4050	2.7345
F3	1.3664	2.0539		2.6541	2.9863
Cl4	1.8713	2.4050	2.6541		3.3560
I5	2.1797	2.7345	2.9863	3.3560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	111.126	H2	C1	Cl4	104.279
H2	C1	I5	107.632	F3	C1	Cl4	109.123
F3	C1	I5	112.712	Cl4	C1	I5	111.651

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: HSEh1PBE/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	0.010
2	H	0.129
3	F	-0.029
4	Cl	-0.158
5	I	0.049

	x	y	z	Total
	-0.408	1.484	1.159	1.927
CHELPG
AIM
ESP

	x	y	z
x	5.678	-0.026	0.208
y	-0.026	2.391	0.257
z	0.208	0.257	1.207

<r²>	239.601
(<r²>)^1/2	15.479