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	hartrees
Energy at 0K	-436.221347
Energy at 298.15K
HF Energy	-435.174770
Nuclear repulsion energy	120.540260

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'	3147	3147	9.11	111.28	0.08	0.15
2	A'	1510	1510	0.34	7.01	0.69	0.81
3	A'	1323	1323	60.08	3.50	0.14	0.24
4	A'	1098	1098	195.16	3.28	0.67	0.80
5	A'	608	608	37.67	20.66	0.24	0.38
6	A'	279	279	0.62	4.33	0.39	0.56
7	A"	3236	3236	1.18	54.18	0.75	0.86
8	A"	1265	1265	2.57	3.12	0.75	0.86
9	A"	888	888	0.74	1.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.522	-1.447	0.000
F2	-0.591	-2.231	0.000
I3	0.000	0.604	0.000
H4	1.095	-1.627	0.899
H5	1.095	-1.627	-0.899

	C1	F2	I3	H4	H5
C1		1.3618	2.1162	1.0808	1.0808
F2	1.3618		2.8962	2.0038	2.0038
I3	2.1162	2.8962		2.6425	2.6425
H4	1.0808	2.0038	2.6425		1.7973
H5	1.0808	2.0038	2.6425	1.7973

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	I3	110.892	F2	C1	H4	109.713
F2	C1	H5	109.713	I3	C1	H4	106.986
I3	C1	H5	106.986	H4	C1	H5	112.502

All results from a given calculation for CH₂FI (fluoroiodomethane)

using model chemistry: MP2=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: MP2=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CH₂FI (fluoroiodomethane)