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	hartrees
Energy at 0K	-149.592021
Energy at 298.15K
HF Energy	-149.592021
Nuclear repulsion energy	55.555261

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'	3353	3017	32.74	158.67	0.09	0.16
2	A'	1608	1447	1.43	20.45	0.56	0.71
3	A'	1444	1300	111.13	5.11	0.61	0.76
4	A'	1086	977	233.77	9.32	0.65	0.78
5	A'	596	536	53.25	53.88	0.34	0.51
6	A'	279	251	1.26	9.58	0.52	0.69
7	A"	3456	3110	8.22	76.04	0.75	0.86
8	A"	1326	1193	7.45	13.13	0.75	0.86
9	A"	959	863	1.70	10.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.545	-1.477	0.000
F2	-0.608	-2.278	0.000
I3	0.000	0.617	0.000
H4	1.103	-1.678	0.894
H5	1.103	-1.678	-0.894

	C1	F2	I3	H4	H5
C1		1.4046	2.1641	1.0724	1.0724
F2	1.4046		2.9591	2.0214	2.0214
I3	2.1641	2.9591		2.6991	2.6991
H4	1.0724	2.0214	2.6991		1.7872
H5	1.0724	2.0214	2.6991	1.7872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	I3	110.212	F2	C1	H4	108.643
F2	C1	H5	108.643	I3	C1	H4	108.226
I3	C1	H5	108.226	H4	C1	H5	112.883

All results from a given calculation for CH₂FI (fluoroiodomethane)

using model chemistry: HF/LANL2DZ

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	-0.276
2	F	-0.344
3	I	0.125
4	H	0.248
5	H	0.248

	x	y	z	Total
	2.518	0.046	0.000	2.518
CHELPG
AIM
ESP

	x	y	z
x	2.071	-1.092	0.000
y	-1.092	7.188	0.000
z	0.000	0.000	1.765

<r²>	97.449
(<r²>)^1/2	9.872

All results from a given calculation for CH2FI (fluoroiodomethane)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for CH₂FI (fluoroiodomethane)