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	hartrees
Energy at 0K	-7057.912986
Energy at 298.15K
HF Energy	-7057.732002
Nuclear repulsion energy	215.351365

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'	3125	3125	14.12	110.11	0.09	0.16
2	A'	1508	1508	0.64	10.09	0.71	0.83
3	A'	1318	1318	82.59	3.32	0.27	0.43
4	A'	1088	1088	219.55	3.67	0.69	0.82
5	A'	561	561	50.51	25.95	0.29	0.45
6	A'	266	266	0.26	6.51	0.41	0.58
7	A"	3213	3213	4.73	62.22	0.75	0.86
8	A"	1262	1262	2.91	5.81	0.75	0.86
9	A"	877	877	0.67	2.56	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.524	-1.497	0.000
F2	-0.593	-2.274	0.000
I3	0.000	0.619	0.000
H4	1.098	-1.672	0.905
H5	1.098	-1.672	-0.905

	C1	F2	I3	H4	H5
C1		1.3617	2.1792	1.0858	1.0858
F2	1.3617		2.9533	2.0106	2.0106
I3	2.1792	2.9533		2.6967	2.6967
H4	1.0858	2.0106	2.6967		1.8100
H5	1.0858	2.0106	2.6967	1.8100

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	I3	110.912	F2	C1	H4	109.956
F2	C1	H5	109.956	I3	C1	H4	106.503
I3	C1	H5	106.503	H4	C1	H5	112.919

All results from a given calculation for CH₂FI (fluoroiodomethane)

using model chemistry: B2PLYP/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	-0.049
2	F	-0.227
3	I	-0.022
4	H	0.149
5	H	0.149

	x	y	z	Total
	1.698	-0.626	0.000	1.809
CHELPG
AIM
ESP

	x	y	z
x	4.368	-0.634	0.001
y	-0.634	7.660	-0.000
z	0.001	-0.000	4.100

<r²>	119.549
(<r²>)^1/2	10.934

All results from a given calculation for CH2FI (fluoroiodomethane)

using model chemistry: B2PLYP/6-311G**

States and conformations

All results from a given calculation for CH₂FI (fluoroiodomethane)