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	hartrees
Energy at 0K	-41.667310
Energy at 298.15K
HF Energy	-41.667310
Nuclear repulsion energy	36.831203

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'	3281	2994	25.73	128.87	0.10	0.17
2	A'	1592	1453	0.55	20.79	0.56	0.71
3	A'	1432	1306	116.70	6.08	0.23	0.38
4	A'	1088	992	237.92	8.85	0.70	0.83
5	A'	603	550	54.54	51.44	0.39	0.56
6	A'	281	256	1.47	9.38	0.53	0.69
7	A"	3396	3098	8.39	69.59	0.75	0.86
8	A"	1321	1206	7.92	19.44	0.75	0.86
9	A"	952	869	1.16	13.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.547	-1.474	0.000
F2	-0.610	-2.272	0.000
I3	0.000	0.616	0.000
H4	1.102	-1.677	0.899
H5	1.102	-1.677	-0.899

	C1	F2	I3	H4	H5
C1		1.4046	2.1604	1.0759	1.0759
F2	1.4046		2.9510	2.0229	2.0229
I3	2.1604	2.9510		2.6978	2.6978
H4	1.0759	2.0229	2.6978		1.7978
H5	1.0759	2.0229	2.6978	1.7978

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	I3	109.923	F2	C1	H4	108.554
F2	C1	H5	108.554	I3	C1	H4	108.220
I3	C1	H5	108.220	H4	C1	H5	113.344

All results from a given calculation for CH₂FI (fluoroiodomethane)

using model chemistry: HF/CEP-121G

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	-0.297
2	F	-0.307
3	I	0.190
4	H	0.207
5	H	0.207

	x	y	z	Total
	2.515	0.068	0.000	2.516
CHELPG
AIM
ESP

	x	y	z
x	2.432	-0.998	0.000
y	-0.998	7.199	0.000
z	0.000	0.000	2.126

<r²>	81.091
(<r²>)^1/2	9.005

All results from a given calculation for CH2FI (fluoroiodomethane)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for CH₂FI (fluoroiodomethane)