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	hartrees
Energy at 0K	-6989.273645
Energy at 298.15K
HF Energy	-6989.273645
Nuclear repulsion energy	209.551571

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'	3156	2883	8.97	47.70	0.16	0.28
2	A'	1594	1456	0.18	13.63	0.72	0.84
3	A'	1344	1228	63.37	4.06	0.62	0.76
4	A'	1207	1103	80.05	2.58	0.57	0.73
5	A'	582	531	33.68	15.81	0.33	0.49
6	A'	286	262	2.22	5.23	0.53	0.69
7	A"	3264	2982	9.89	37.64	0.75	0.86
8	A"	1267	1157	3.18	7.89	0.75	0.86
9	A"	902	824	0.23	5.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.510	-1.526	0.000
F2	-0.593	-2.369	0.000
I3	0.000	0.639	0.000
H4	1.141	-1.684	0.915
H5	1.141	-1.684	-0.915

	C1	F2	I3	H4	H5
C1		1.3889	2.2234	1.1232	1.1232
F2	1.3889		3.0660	2.0774	2.0774
I3	2.2234	3.0660		2.7449	2.7449
H4	1.1232	2.0774	2.7449		1.8310
H5	1.1232	2.0774	2.7449	1.8310

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	I3	114.157	F2	C1	H4	111.137
F2	C1	H5	111.137	I3	C1	H4	105.433
I3	C1	H5	105.433	H4	C1	H5	109.197

All results from a given calculation for CH₂FI (fluoroiodomethane)

using model chemistry: PBEPBE/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	-0.108
2	F	-0.031
3	I	-0.056
4	H	0.098
5	H	0.098

	x	y	z	Total
	0.940	-1.743	0.000	1.980
CHELPG
AIM
ESP

	x	y	z
x	1.306	-0.390	0.000
y	-0.390	4.671	0.000
z	0.000	0.000	1.005

<r²>	123.265
(<r²>)^1/2	11.102

All results from a given calculation for CH2FI (fluoroiodomethane)

using model chemistry: PBEPBE/STO-3G

States and conformations

All results from a given calculation for CH₂FI (fluoroiodomethane)