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	hartrees
Energy at 0K	-6989.373474
Energy at 298.15K
HF Energy	-6989.343564
Nuclear repulsion energy	212.328986

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'	3293	3293	6.29	44.44	0.15	0.26
2	A'	1665	1665	0.76	14.63	0.73	0.84
3	A'	1423	1423	86.29	2.89	0.75	0.86
4	A'	1226	1226	60.74	4.84	0.74	0.85
5	A'	634	634	30.99	21.28	0.32	0.49
6	A'	298	298	1.72	5.26	0.53	0.69
7	A"	3406	3406	5.96	37.01	0.75	0.86
8	A"	1323	1323	3.31	9.92	0.75	0.86
9	A"	945	945	1.01	4.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.514	-1.495	0.000
F2	-0.596	-2.333	0.000
I3	0.000	0.629	0.000
H4	1.139	-1.676	0.905
H5	1.139	-1.676	-0.905

	C1	F2	I3	H4	H5
C1		1.3912	2.1845	1.1146	1.1146
F2	1.3912		3.0205	2.0642	2.0642
I3	2.1845	3.0205		2.7254	2.7254
H4	1.1146	2.0642	2.7254		1.8101
H5	1.1146	2.0642	2.7254	1.8101

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	I3	113.418	F2	C1	H4	110.444
F2	C1	H5	110.444	I3	C1	H4	106.874
I3	C1	H5	106.874	H4	C1	H5	108.583

All results from a given calculation for CH₂FI (fluoroiodomethane)

using model chemistry: B2PLYP/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	-0.081
2	F	-0.079
3	I	-0.015
4	H	0.087
5	H	0.087

	x	y	z	Total
	1.086	-1.246	0.000	1.653
CHELPG
AIM
ESP

	x	y	z
x	1.285	-0.464	0.000
y	-0.464	4.385	0.000
z	0.000	0.000	0.994

<r²>	120.698
(<r²>)^1/2	10.986

All results from a given calculation for CH2FI (fluoroiodomethane)

using model chemistry: B2PLYP/STO-3G

States and conformations

All results from a given calculation for CH₂FI (fluoroiodomethane)