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	hartrees
Energy at 0K	-6989.654347
Energy at 298.15K
HF Energy	-6989.654347
Nuclear repulsion energy	212.702060

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'	3295	2907	5.52	44.07	0.16	0.27
2	A'	1652	1457	0.07	13.69	0.73	0.84
3	A'	1410	1244	75.48	3.09	0.72	0.84
4	A'	1246	1099	74.28	3.54	0.75	0.85
5	A'	633	558	33.89	18.49	0.32	0.49
6	A'	301	265	1.91	4.85	0.53	0.70
7	A"	3409	3007	4.50	36.07	0.75	0.86
8	A"	1318	1162	3.12	8.92	0.75	0.86
9	A"	943	831	0.59	4.53	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.509	-1.495	0.000
F2	-0.591	-2.331	0.000
I3	0.000	0.628	0.000
H4	1.134	-1.665	0.905
H5	1.134	-1.665	-0.905

	C1	F2	I3	H4	H5
C1		1.3813	2.1834	1.1130	1.1130
F2	1.3813		3.0177	2.0587	2.0587
I3	2.1834	3.0177		2.7135	2.7135
H4	1.1130	2.0587	2.7135		1.8097
H5	1.1130	2.0587	2.7135	1.8097

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	I3	113.775	F2	C1	H4	110.795
F2	C1	H5	110.795	I3	C1	H4	106.217
I3	C1	H5	106.217	H4	C1	H5	108.774

All results from a given calculation for CH₂FI (fluoroiodomethane)

using model chemistry: PBE1PBE/STO-3G

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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Number	Element	Mulliken
1	C	-0.104
2	F	-0.064
3	I	-0.034
4	H	0.101
5	H	0.101

	x	y	z	Total
	1.091	-1.490	0.000	1.847
CHELPG
AIM
ESP

	x	y	z
x	1.270	-0.428	0.000
y	-0.428	4.351	0.000
z	0.000	0.000	0.989

<r²>	120.329
(<r²>)^1/2	10.969

All results from a given calculation for CH2FI (fluoroiodomethane)

using model chemistry: PBE1PBE/STO-3G

States and conformations

All results from a given calculation for CH₂FI (fluoroiodomethane)