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	hartrees
Energy at 0K	-7028.149427
Energy at 298.15K
HF Energy	-7028.034866
Nuclear repulsion energy	212.450438

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'	3136	3136	13.40	95.10	0.11	0.19
2	A'	1567	1567	0.56	14.75	0.73	0.84
3	A'	1345	1345	83.33	2.93	0.56	0.72
4	A'	1077	1077	126.35	3.21	0.74	0.85
5	A'	560	560	48.85	26.86	0.27	0.42
6	A'	251	251	0.31	5.86	0.43	0.61
7	A"	3214	3214	6.74	63.04	0.75	0.86
8	A"	1251	1251	1.19	9.07	0.75	0.86
9	A"	895	895	0.89	4.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.541	-1.512	0.000
F2	-0.611	-2.307	0.000
I3	0.000	0.626	0.000
H4	1.125	-1.672	0.902
H5	1.125	-1.672	-0.902

	C1	F2	I3	H4	H5
C1		1.3989	2.2051	1.0867	1.0867
F2	1.3989		2.9954	2.0563	2.0563
I3	2.2051	2.9954		2.7134	2.7134
H4	1.0867	2.0563	2.7134		1.8040
H5	1.0867	2.0563	2.7134	1.8040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	I3	110.423	F2	C1	H4	111.015
F2	C1	H5	111.015	I3	C1	H4	105.974
I3	C1	H5	105.974	H4	C1	H5	112.198

All results from a given calculation for CH₂FI (fluoroiodomethane)

using model chemistry: B2PLYP=FULL/3-21G*

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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All results from a given calculation for CH2FI (fluoroiodomethane)

using model chemistry: B2PLYP=FULL/3-21G*

States and conformations

All results from a given calculation for CH₂FI (fluoroiodomethane)