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	hartrees
Energy at 0K	-6989.862737
Energy at 298.15K
HF Energy	-6989.862737
Nuclear repulsion energy	207.987560

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'	3112	2879	10.93	51.20	0.16	0.28
2	A'	1588	1469	0.60	14.32	0.73	0.84
3	A'	1335	1235	66.39	4.07	0.61	0.76
4	A'	1174	1086	77.72	2.63	0.57	0.72
5	A'	562	520	32.68	16.89	0.33	0.49
6	A'	278	257	2.17	5.61	0.52	0.68
7	A"	3220	2979	13.42	40.09	0.75	0.86
8	A"	1255	1161	3.47	8.27	0.75	0.86
9	A"	890	824	0.22	5.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.515	-1.539	0.000
F2	-0.598	-2.386	0.000
I3	0.000	0.644	0.000
H4	1.146	-1.702	0.918
H5	1.146	-1.702	-0.918

	C1	F2	I3	H4	H5
C1		1.3989	2.2421	1.1254	1.1254
F2	1.3989		3.0882	2.0857	2.0857
I3	2.2421	3.0882		2.7669	2.7669
H4	1.1254	2.0857	2.7669		1.8355
H5	1.1254	2.0857	2.7669	1.8355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	I3	114.014	F2	C1	H4	110.968
F2	C1	H5	110.968	I3	C1	H4	105.661
I3	C1	H5	105.661	H4	C1	H5	109.265

All results from a given calculation for CH₂FI (fluoroiodomethane)

using model chemistry: BLYP/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	-0.098
2	F	-0.035
3	I	-0.046
4	H	0.090
5	H	0.090

	x	y	z	Total
	0.909	-1.621	0.000	1.859
CHELPG
AIM
ESP

	x	y	z
x	1.337	-0.422	0.000
y	-0.422	4.837	0.000
z	0.000	0.000	1.028

<r²>	124.817
(<r²>)^1/2	11.172

All results from a given calculation for CH2FI (fluoroiodomethane)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for CH₂FI (fluoroiodomethane)