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	hartrees
Energy at 0K	-436.078254
Energy at 298.15K
HF Energy	-435.174874
Nuclear repulsion energy	120.022144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3135	3135	11.54
2	A'	1515	1515	0.33
3	A'	1331	1331	66.07
4	A'	1110	1110	196.55
5	A'	598	598	35.51
6	A'	277	277	0.71
7	A"	3218	3218	2.62
8	A"	1271	1271	2.75
9	A"	885	885	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.523	-1.459	0.000
F2	-0.592	-2.239	0.000
I3	0.000	0.608	0.000
H4	1.097	-1.644	0.900
H5	1.097	-1.644	-0.900

	C1	F2	I3	H4	H5
C1		1.3610	2.1320	1.0834	1.0834
F2	1.3610		2.9079	2.0045	2.0045
I3	2.1320	2.9079		2.6611	2.6611
H4	1.0834	2.0045	2.6611		1.8005
H5	1.0834	2.0045	2.6611	1.8005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	I3	110.769	F2	C1	H4	109.659
F2	C1	H5	109.659	I3	C1	H4	107.154
I3	C1	H5	107.154	H4	C1	H5	112.402

All results from a given calculation for CH₂FI (fluoroiodomethane)

using model chemistry: QCISD/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: QCISD/Def2TZVPP

States and conformations

All results from a given calculation for CH₂FI (fluoroiodomethane)