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	hartrees
Energy at 0K	-896.372311
Energy at 298.15K
HF Energy	-896.372311
Nuclear repulsion energy	245.667733

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	3181	3181	0.22	80.69	0.23	0.37
2	A	1342	1342	12.79	3.82	0.62	0.77
3	A	1208	1208	85.06	5.77	0.26	0.41
4	A	1132	1132	201.87	4.37	0.50	0.67
5	A	793	793	186.79	7.31	0.72	0.84
6	A	604	604	41.15	20.48	0.17	0.29
7	A	423	423	0.51	3.85	0.24	0.39
8	A	280	280	0.13	4.70	0.36	0.53
9	A	196	196	0.01	5.21	0.44	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.985	0.471	0.417
H2	1.058	0.613	1.489
F3	1.261	1.627	-0.210
Cl4	2.146	-0.751	-0.071
I5	-1.034	-0.100	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0835	1.3439	1.7545	2.1432
H2	1.0835		1.9894	2.3400	2.6741
F3	1.3439	1.9894		2.5415	2.8791
Cl4	1.7545	2.3400	2.5415		3.2464
I5	2.1432	2.6741	2.8791	3.2464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.615	H2	C1	Cl4	108.769
H2	C1	I5	107.333	F3	C1	Cl4	109.506
F3	C1	I5	109.150	Cl4	C1	I5	112.417

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: M06-2X/Def2TZVPP

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	0.049
2	H	0.186
3	F	-0.153
4	Cl	-0.047
5	I	-0.035

	x	y	z	Total
	-0.244	-0.168	1.158	1.196
CHELPG
AIM
ESP

	x	y	z
x	11.075	-0.239	0.171
y	-0.239	7.034	0.243
z	0.171	0.243	6.204

<r²>	196.624
(<r²>)^1/2	14.022