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	hartrees
Energy at 0K	-7059.035447
Energy at 298.15K
HF Energy	-7059.035447
Nuclear repulsion energy	217.073010

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'	3145	3145	13.44	108.40	0.09	0.17
2	A'	1520	1520	0.47	9.61	0.69	0.82
3	A'	1333	1333	91.35	3.49	0.30	0.46
4	A'	1135	1135	232.78	4.03	0.67	0.81
5	A'	579	579	50.74	31.61	0.29	0.45
6	A'	275	275	0.30	6.16	0.42	0.60
7	A"	3230	3230	3.93	61.26	0.75	0.86
8	A"	1276	1276	3.37	6.38	0.75	0.86
9	A"	890	890	0.79	3.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.523	-1.484	0.000
F2	-0.592	-2.251	0.000
I3	0.000	0.613	0.000
H4	1.096	-1.668	0.904
H5	1.096	-1.668	-0.904

	C1	F2	I3	H4	H5
C1		1.3539	2.1610	1.0857	1.0857
F2	1.3539		2.9242	2.0020	2.0020
I3	2.1610	2.9242		2.6869	2.6869
H4	1.0857	2.0020	2.6869		1.8078
H5	1.0857	2.0020	2.6869	1.8078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	I3	110.487	F2	C1	H4	109.803
F2	C1	H5	109.803	I3	C1	H4	106.981
I3	C1	H5	106.981	H4	C1	H5	112.715

All results from a given calculation for CH₂FI (fluoroiodomethane)

using model chemistry: M06-2X/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	-0.300
2	F	-0.227
3	I	0.004
4	H	0.261
5	H	0.261

	x	y	z	Total
	1.756	-0.627	0.000	1.865
CHELPG
AIM
ESP

	x	y	z
x	4.262	-0.690	0.000
y	-0.690	7.564	0.000
z	0.000	0.000	4.016

<r²>	117.732
(<r²>)^1/2	10.850

All results from a given calculation for CH2FI (fluoroiodomethane)

using model chemistry: M06-2X/6-311G*

States and conformations

All results from a given calculation for CH₂FI (fluoroiodomethane)