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	hartrees
Energy at 0K	-828.372033
Energy at 298.15K
HF Energy	-828.372033
Nuclear repulsion energy	395.560114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	1097	1097	274.34	9.61	0.28	0.43
2	A₁	605	605	6.92	4.17	0.00	0.00
3	A₁	277	277	0.20	12.09	0.10	0.19
4	A₁	109	109	0.10	3.38	0.39	0.56
5	A₂	241	241	0.00	0.61	0.75	0.86
6	B₁	723	723	354.04	4.57	0.75	0.86
7	B₁	274	274	0.18	3.22	0.75	0.86
8	B₂	1159	1159	141.80	0.60	0.75	0.86
9	B₂	304	304	0.11	1.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.869
F2	0.000	1.071	1.645
F3	0.000	-1.071	1.645
I4	1.786	0.000	-0.329
I5	-1.786	0.000	-0.329

	C1	F2	F3	I4	I5
C1		1.3229	1.3229	2.1508	2.1508
F2	1.3229		2.1429	2.8697	2.8697
F3	1.3229	2.1429		2.8697	2.8697
I4	2.1508	2.8697	2.8697		3.5724
I5	2.1508	2.8697	2.8697	3.5724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	108.174	F2	C1	I4	109.071
F2	C1	I5	109.071	F3	C1	I4	109.071
F3	C1	I5	109.071	I4	C1	I5	112.298

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)

using model chemistry: LSDA/cc-pVTZ-PP

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	0.085
2	F	-0.072
3	F	-0.072
4	I	0.029
5	I	0.029

	x	y	z	Total
	0.000	0.000	-0.508	0.508
CHELPG
AIM
ESP

<r²>	281.414
(<r²>)^1/2	16.775

All results from a given calculation for CF2I2 (difluorodiiodomethane)

using model chemistry: LSDA/cc-pVTZ-PP

States and conformations

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)