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	hartrees
Energy at 0K	-436.687716
Energy at 298.15K
HF Energy	-436.359830
Nuclear repulsion energy	119.439152

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'	3122	3122	10.48	119.17	0.08	0.15
2	A'	1503	1503	0.31	7.59	0.69	0.82
3	A'	1311	1311	61.16	4.24	0.14	0.25
4	A'	1075	1075	214.06	3.36	0.65	0.78
5	A'	577	577	44.18	24.05	0.24	0.39
6	A'	270	270	0.30	5.30	0.37	0.54
7	A"	3208	3208	1.98	58.90	0.75	0.86
8	A"	1255	1255	2.53	3.18	0.75	0.86
9	A"	874	874	0.73	1.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.524	-1.471	0.000
F2	-0.593	-2.253	0.000
I3	0.000	0.611	0.000
H4	1.095	-1.650	0.902
H5	1.095	-1.650	-0.902

	C1	F2	I3	H4	H5
C1		1.3633	2.1475	1.0826	1.0826
F2	1.3633		2.9254	2.0068	2.0068
I3	2.1475	2.9254		2.6697	2.6697
H4	1.0826	2.0068	2.6697		1.8037
H5	1.0826	2.0068	2.6697	1.8037

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	I3	110.891	F2	C1	H4	109.737
F2	C1	H5	109.737	I3	C1	H4	106.793
I3	C1	H5	106.793	H4	C1	H5	112.828

All results from a given calculation for CH₂FI (fluoroiodomethane)

using model chemistry: B2PLYP=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CH₂FI (fluoroiodomethane)