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	hartrees
Energy at 0K	-7029.029808
Energy at 298.15K
HF Energy	-7029.029808
Nuclear repulsion energy	212.146802

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'	3134	3134	17.34	112.37	0.10	0.19
2	A'	1555	1555	1.03	17.88	0.73	0.84
3	A'	1353	1353	73.03	3.67	0.59	0.74
4	A'	1090	1090	156.63	5.51	0.75	0.86
5	A'	566	566	49.14	34.31	0.39	0.57
6	A'	263	263	0.65	8.34	0.54	0.70
7	A"	3213	3213	9.59	72.54	0.75	0.86
8	A"	1255	1255	0.66	12.20	0.75	0.86
9	A"	902	902	0.65	9.25	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.536	-1.516	0.000
F2	-0.607	-2.312	0.000
I3	0.000	0.628	0.000
H4	1.124	-1.681	0.901
H5	1.124	-1.681	-0.901

	C1	F2	I3	H4	H5
C1		1.3923	2.2101	1.0884	1.0884
F2	1.3923		3.0016	2.0507	2.0507
I3	2.2101	3.0016		2.7211	2.7211
H4	1.0884	2.0507	2.7211		1.8021
H5	1.0884	2.0507	2.7211	1.8021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	I3	110.815	F2	C1	H4	110.921
F2	C1	H5	110.921	I3	C1	H4	106.112
I3	C1	H5	106.112	H4	C1	H5	111.755

All results from a given calculation for CH₂FI (fluoroiodomethane)

using model chemistry: wB97X-D/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	-0.357
2	F	-0.279
3	I	0.116
4	H	0.260
5	H	0.260

	x	y	z	Total
	1.922	-0.587	0.000	2.009
CHELPG
AIM
ESP

	x	y	z
x	2.828	-0.802	0.000
y	-0.802	6.925	0.000
z	0.000	0.000	2.528

<r²>	122.295
(<r²>)^1/2	11.059

All results from a given calculation for CH2FI (fluoroiodomethane)

using model chemistry: wB97X-D/3-21G

States and conformations

All results from a given calculation for CH₂FI (fluoroiodomethane)