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	hartrees
Energy at 0K	-6990.925145
Energy at 298.15K
HF Energy	-6990.925145
Nuclear repulsion energy	212.772445

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'	3283	2899	5.44	45.10	0.16	0.27
2	A'	1644	1452	0.07	14.03	0.73	0.84
3	A'	1403	1239	75.42	3.16	0.72	0.84
4	A'	1240	1095	74.57	3.67	0.75	0.86
5	A'	631	557	33.60	18.61	0.32	0.49
6	A'	299	264	1.90	4.91	0.53	0.69
7	A"	3396	2999	4.41	36.68	0.75	0.86
8	A"	1312	1159	3.19	9.11	0.75	0.86
9	A"	936	826	0.62	4.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.508	-1.494	0.000
F2	-0.590	-2.332	0.000
I3	0.000	0.628	0.000
H4	1.133	-1.663	0.904
H5	1.133	-1.663	-0.904

	C1	F2	I3	H4	H5
C1		1.3815	2.1814	1.1124	1.1124
F2	1.3815		3.0184	2.0580	2.0580
I3	2.1814	3.0184		2.7112	2.7112
H4	1.1124	2.0580	2.7112		1.8082
H5	1.1124	2.0580	2.7112	1.8082

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	I3	113.917	F2	C1	H4	110.756
F2	C1	H5	110.756	I3	C1	H4	106.205
I3	C1	H5	106.205	H4	C1	H5	108.728

All results from a given calculation for CH₂FI (fluoroiodomethane)

using model chemistry: B1B95/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	-0.069
3	I	-0.032
4	H	0.100
5	H	0.100

	x	y	z	Total
	1.099	-1.462	0.000	1.829
CHELPG
AIM
ESP

	x	y	z
x	1.278	-0.433	0.000
y	-0.433	4.373	0.000
z	0.000	0.000	1.000

<r²>	120.316
(<r²>)^1/2	10.969

All results from a given calculation for CH2FI (fluoroiodomethane)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for CH₂FI (fluoroiodomethane)