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	hartrees
Energy at 0K	-149.611335
Energy at 298.15K
HF Energy	-149.611335
Nuclear repulsion energy	55.525908

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'	3355	3021	30.94	162.53	0.09	0.17
2	A'	1607	1447	1.42	20.40	0.55	0.71
3	A'	1443	1299	115.51	5.83	0.53	0.70
4	A'	1088	979	236.95	9.41	0.67	0.80
5	A'	597	538	56.45	55.39	0.34	0.50
6	A'	279	251	1.22	9.61	0.52	0.69
7	A"	3459	3114	6.80	80.24	0.75	0.86
8	A"	1326	1194	8.02	13.30	0.75	0.86
9	A"	960	864	1.90	9.91	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.545	-1.482	0.000
F2	-0.609	-2.281	0.000
I3	0.000	0.619	0.000
H4	1.102	-1.681	0.894
H5	1.102	-1.681	-0.894

	C1	F2	I3	H4	H5
C1		1.4034	2.1704	1.0722	1.0722
F2	1.4034		2.9626	2.0216	2.0216
I3	2.1704	2.9626		2.7025	2.7025
H4	1.0722	2.0216	2.7025		1.7887
H5	1.0722	2.0216	2.7025	1.7887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	I3	110.128	F2	C1	H4	108.754
F2	C1	H5	108.754	I3	C1	H4	108.066
I3	C1	H5	108.066	H4	C1	H5	113.057

All results from a given calculation for CH₂FI (fluoroiodomethane)

using model chemistry: HF/SDD

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	-0.287
2	F	-0.342
3	I	0.128
4	H	0.250
5	H	0.250

	x	y	z	Total
	2.526	0.010	0.000	2.526
CHELPG
AIM
ESP

	x	y	z
x	2.102	-1.119	0.000
y	-1.119	7.313	0.000
z	0.000	0.000	1.792

<r²>	97.751
(<r²>)^1/2	9.887

All results from a given calculation for CH2FI (fluoroiodomethane)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for CH₂FI (fluoroiodomethane)