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	hartrees
Energy at 0K	-7486.463994
Energy at 298.15K
HF Energy	-7486.463994
Nuclear repulsion energy	400.423001

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	3071	3051	4.92	87.01	0.29	0.45
2	A	1282	1274	10.37	8.08	0.75	0.86
3	A	1167	1160	88.22	5.56	0.52	0.69
4	A	1045	1038	125.18	1.36	0.71	0.83
5	A	616	612	213.77	4.16	0.55	0.71
6	A	546	542	70.08	13.94	0.17	0.30
7	A	356	354	3.54	6.49	0.28	0.44
8	A	239	238	0.42	4.99	0.45	0.62
9	A	174	173	0.01	8.12	0.45	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	1.026	0.503	0.435
H2	1.100	0.599	1.523
F3	1.313	1.699	-0.216
Cl4	2.229	-0.786	-0.074
I5	-1.075	-0.105	-0.018

	C1	H2	F3	Cl4	I5
C1		1.0944	1.3919	1.8356	2.2330
H2	1.0944		2.0689	2.3964	2.7559
F3	1.3919	2.0689		2.6530	2.9994
Cl4	1.8356	2.3964	2.6530		3.3738
I5	2.2330	2.7559	2.9994	3.3738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	112.078	H2	C1	Cl4	107.006
H2	C1	I5	106.778	F3	C1	Cl4	109.805
F3	C1	I5	109.479	Cl4	C1	I5	111.664

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: BLYP/3-21G*

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	-0.125
2	H	0.263
3	F	-0.203
4	Cl	-0.003
5	I	0.069

	x	y	z	Total
	-0.317	0.188	1.242	1.296
CHELPG
AIM
ESP

	x	y	z
x	10.465	-0.419	0.127
y	-0.419	6.191	0.273
z	0.127	0.273	5.046

<r²>	243.858
(<r²>)^1/2	15.616