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	hartrees
Energy at 0K	-7058.056900
Energy at 298.15K
HF Energy	-7057.728567
Nuclear repulsion energy	215.229908

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'	3135	3135	16.31	105.22	0.10	0.18
2	A'	1524	1524	0.30	10.64	0.70	0.83
3	A'	1336	1336	88.70	3.41	0.30	0.46
4	A'	1089	1089	221.15	3.49	0.69	0.82
5	A'	560	560	51.69	26.19	0.29	0.45
6	A'	266	266	0.25	6.55	0.41	0.59
7	A"	3224	3224	6.12	62.77	0.75	0.86
8	A"	1273	1273	3.03	6.28	0.75	0.86
9	A"	887	887	0.89	2.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.524	-1.498	0.000
F2	-0.593	-2.275	0.000
I3	0.000	0.619	0.000
H4	1.096	-1.679	0.904
H5	1.096	-1.679	-0.904

	C1	F2	I3	H4	H5
C1		1.3607	2.1811	1.0852	1.0852
F2	1.3607		2.9549	2.0067	2.0067
I3	2.1811	2.9549		2.7017	2.7017
H4	1.0852	2.0067	2.7017		1.8082
H5	1.0852	2.0067	2.7017	1.8082

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	I3	110.953	F2	C1	H4	109.745
F2	C1	H5	109.745	I3	C1	H4	106.751
I3	C1	H5	106.751	H4	C1	H5	112.835

All results from a given calculation for CH₂FI (fluoroiodomethane)

using model chemistry: B2PLYP=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for CH₂FI (fluoroiodomethane)