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	hartrees
Energy at 0K	-7058.707177
Energy at 298.15K
HF Energy	-7058.707177
Nuclear repulsion energy	214.367427

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'	3096	2993	12.98	113.76	0.09	0.17
2	A'	1491	1442	0.84	10.11	0.71	0.83
3	A'	1294	1251	72.78	3.22	0.27	0.42
4	A'	1076	1041	231.88	3.41	0.68	0.81
5	A'	544	526	53.56	25.98	0.29	0.44
6	A'	260	251	0.29	6.81	0.41	0.58
7	A"	3183	3077	4.67	63.63	0.75	0.86
8	A"	1246	1205	2.61	5.67	0.75	0.86
9	A"	863	834	0.83	2.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.525	-1.508	0.000
F2	-0.594	-2.285	0.000
I3	0.000	0.622	0.000
H4	1.098	-1.679	0.907
H5	1.098	-1.679	-0.907

	C1	F2	I3	H4	H5
C1		1.3618	2.1936	1.0867	1.0867
F2	1.3618		2.9670	2.0131	2.0131
I3	2.1936	2.9670		2.7059	2.7059
H4	1.0867	2.0131	2.7059		1.8144
H5	1.0867	2.0131	2.7059	1.8144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	I3	110.958	F2	C1	H4	110.101
F2	C1	H5	110.101	I3	C1	H4	106.187
I3	C1	H5	106.187	H4	C1	H5	113.186

All results from a given calculation for CH₂FI (fluoroiodomethane)

using model chemistry: B3LYP/6-311G**

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	-0.066
2	F	-0.218
3	I	-0.026
4	H	0.155
5	H	0.155

	x	y	z	Total
	1.689	-0.675	0.000	1.819
CHELPG
AIM
ESP

	x	y	z
x	4.435	-0.647	0.000
y	-0.647	7.845	0.000
z	0.000	0.000	4.168

<r²>	120.380
(<r²>)^1/2	10.972

All results from a given calculation for CH2FI (fluoroiodomethane)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for CH₂FI (fluoroiodomethane)