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	hartrees
Energy at 0K	-6990.049639
Energy at 298.15K
HF Energy	-6990.049639
Nuclear repulsion energy	211.049812

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'	3236	2888	7.12	47.41	0.16	0.27
2	A'	1636	1460	0.31	14.32	0.73	0.84
3	A'	1392	1242	75.27	3.16	0.71	0.83
4	A'	1212	1082	74.38	3.40	0.74	0.85
5	A'	606	541	33.25	19.27	0.33	0.49
6	A'	292	260	1.87	5.25	0.52	0.69
7	A"	3348	2988	7.32	38.43	0.75	0.86
8	A"	1300	1160	3.33	9.10	0.75	0.86
9	A"	927	827	0.50	4.76	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.513	-1.509	0.000
F2	-0.595	-2.349	0.000
I3	0.000	0.633	0.000
H4	1.139	-1.681	0.908
H5	1.139	-1.681	-0.908

	C1	F2	I3	H4	H5
C1		1.3902	2.2027	1.1162	1.1162
F2	1.3902		3.0413	2.0679	2.0679
I3	2.2027	3.0413		2.7341	2.7341
H4	1.1162	2.0679	2.7341		1.8160
H5	1.1162	2.0679	2.7341	1.8160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	I3	113.734	F2	C1	H4	110.719
F2	C1	H5	110.719	I3	C1	H4	106.271
I3	C1	H5	106.271	H4	C1	H5	108.875

All results from a given calculation for CH₂FI (fluoroiodomethane)

using model chemistry: B3LYP/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	-0.098
2	F	-0.062
3	I	-0.028
4	H	0.094
5	H	0.094

	x	y	z	Total
	1.042	-1.415	0.000	1.757
CHELPG
AIM
ESP

	x	y	z
x	1.303	-0.448	0.000
y	-0.448	4.533	0.000
z	0.000	0.000	1.011

<r²>	121.888
(<r²>)^1/2	11.040

All results from a given calculation for CH2FI (fluoroiodomethane)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for CH₂FI (fluoroiodomethane)