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	hartrees
Energy at 0K	-435.175400
Energy at 298.15K
HF Energy	-435.175400
Nuclear repulsion energy	120.461656

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'	3264	2959	17.02	120.09	0.09	0.16
2	A'	1624	1472	0.48	6.85	0.67	0.80
3	A'	1428	1295	99.39	9.51	0.20	0.33
4	A'	1193	1082	260.77	5.91	0.57	0.73
5	A'	616	559	55.95	37.70	0.27	0.42
6	A'	293	265	0.40	5.83	0.35	0.52
7	A"	3348	3035	3.42	62.23	0.75	0.86
8	A"	1365	1237	4.49	2.76	0.75	0.86
9	A"	949	860	0.39	1.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.516	-1.471	0.000
F2	-0.585	-2.231	0.000
I3	0.000	0.608	0.000
H4	1.086	-1.654	0.893
H5	1.086	-1.654	-0.893

	C1	F2	I3	H4	H5
C1		1.3376	2.1419	1.0746	1.0746
F2	1.3376		2.8979	1.9802	1.9802
I3	2.1419	2.8979		2.6624	2.6624
H4	1.0746	1.9802	2.6624		1.7856
H5	1.0746	1.9802	2.6624	1.7856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	I3	110.654	F2	C1	H4	109.876
F2	C1	H5	109.876	I3	C1	H4	107.001
I3	C1	H5	107.001	H4	C1	H5	112.367

All results from a given calculation for CH₂FI (fluoroiodomethane)

using model chemistry: HF/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	0.116
2	F	-0.252
3	I	-0.073
4	H	0.105
5	H	0.105

	x	y	z	Total
	1.719	-0.619	0.000	1.827
CHELPG
AIM
ESP

	x	y	z
x	5.290	-0.622	0.000
y	-0.622	8.175	0.000
z	0.000	0.000	5.036

<r²>	104.965
(<r²>)^1/2	10.245

All results from a given calculation for CH2FI (fluoroiodomethane)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for CH₂FI (fluoroiodomethane)