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	hartrees
Energy at 0K	-7058.809228
Energy at 298.15K
HF Energy	-7058.809228
Nuclear repulsion energy	216.439017

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'	3117	3117	18.37	106.59	0.10	0.18
2	A'	1516	1516	0.50	10.36	0.70	0.82
3	A'	1340	1340	84.24	3.54	0.30	0.46
4	A'	1102	1102	226.58	3.68	0.65	0.79
5	A'	580	580	48.76	26.73	0.28	0.44
6	A'	273	273	0.29	5.89	0.42	0.59
7	A"	3203	3203	6.71	63.41	0.75	0.86
8	A"	1276	1276	2.85	6.26	0.75	0.86
9	A"	887	887	0.86	2.80	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.521	-1.485	0.000
F2	-0.591	-2.263	0.000
I3	0.000	0.616	0.000
H4	1.097	-1.672	0.903
H5	1.097	-1.672	-0.903

	C1	F2	I3	H4	H5
C1		1.3565	2.1643	1.0873	1.0873
F2	1.3565		2.9385	2.0033	2.0033
I3	2.1643	2.9385		2.6924	2.6924
H4	1.0873	2.0033	2.6924		1.8063
H5	1.0873	2.0033	2.6924	1.8063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	I3	111.065	F2	C1	H4	109.628
F2	C1	H5	109.628	I3	C1	H4	107.080
I3	C1	H5	107.080	H4	C1	H5	112.324

All results from a given calculation for CH₂FI (fluoroiodomethane)

using model chemistry: wB97X-D/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	-0.298
2	F	-0.218
3	I	0.007
4	H	0.255
5	H	0.255

	x	y	z	Total
	1.714	-0.587	0.000	1.811
CHELPG
AIM
ESP

	x	y	z
x	4.400	-0.624	0.000
y	-0.624	7.559	0.000
z	0.000	0.000	4.151

<r²>	118.456
(<r²>)^1/2	10.884

All results from a given calculation for CH2FI (fluoroiodomethane)

using model chemistry: wB97X-D/6-311G*

States and conformations

All results from a given calculation for CH₂FI (fluoroiodomethane)