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	hartrees
Energy at 0K	-14017.549541
Energy at 298.15K
HF Energy	-14017.549541
Nuclear repulsion energy	928.788681

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	1019	1013	269.41	5.50	0.74	0.85
2	A₁	535	532	11.67	2.24	0.05	0.09
3	A₁	230	229	1.64	16.81	0.19	0.32
4	A₁	100	99	0.02	9.30	0.50	0.67
5	A₂	222	221	0.00	1.99	0.75	0.86
6	B₁	627	624	435.29	5.03	0.75	0.86
7	B₁	239	238	4.78	7.67	0.75	0.86
8	B₂	1127	1121	135.38	0.46	0.75	0.86
9	B₂	278	276	0.67	3.69	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.916
F2	0.000	1.127	1.712
F3	0.000	-1.127	1.712
I4	1.916	0.000	-0.343
I5	-1.916	0.000	-0.343

	C1	F2	F3	I4	I5
C1		1.3794	1.3794	2.2924	2.2924
F2	1.3794		2.2538	3.0267	3.0267
F3	1.3794	2.2538		3.0267	3.0267
I4	2.2924	3.0267	3.0267		3.8317
I5	2.2924	3.0267	3.0267	3.8317

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	109.556	F2	C1	I4	108.463
F2	C1	I5	108.463	F3	C1	I4	108.463
F3	C1	I5	108.463	I4	C1	I5	113.389

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)

using model chemistry: BLYP/3-21G

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	0.093
2	F	-0.195
3	F	-0.195
4	I	0.149
5	I	0.149

	x	y	z	Total
	0.000	0.000	-0.273	0.273
CHELPG
AIM
ESP

<r²>	526.761
(<r²>)^1/2	22.951

All results from a given calculation for CF2I2 (difluorodiiodomethane)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)