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	hartrees
Energy at 0K	-14018.244256
Energy at 298.15K
HF Energy	-14018.244256
Nuclear repulsion energy	959.409818

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	1108	1062	278.67	22.64	0.48	0.65
2	A₁	566	543	14.36	3.52	0.00	0.01
3	A₁	268	257	0.28	21.84	0.21	0.34
4	A₁	114	110	0.00	7.35	0.53	0.69
5	A₂	250	239	0.00	2.04	0.75	0.86
6	B₁	740	710	416.79	18.03	0.75	0.86
7	B₁	277	265	0.10	7.29	0.75	0.86
8	B₂	1228	1178	131.00	0.18	0.75	0.86
9	B₂	305	292	1.22	3.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.867
F2	0.000	1.111	1.664
F3	0.000	-1.111	1.664
I4	1.849	0.000	-0.332
I5	-1.849	0.000	-0.332

	C1	F2	F3	I4	I5
C1		1.3674	1.3674	2.2032	2.2032
F2	1.3674		2.2211	2.9387	2.9387
F3	1.3674	2.2211		2.9387	2.9387
I4	2.2032	2.9387	2.9387		3.6979
I5	2.2032	2.9387	2.9387	3.6979

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	108.616	F2	C1	I4	108.499
F2	C1	I5	108.499	F3	C1	I4	108.499
F3	C1	I5	108.499	I4	C1	I5	114.109

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)

using model chemistry: M06-2X/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	0.080
2	F	-0.268
3	F	-0.268
4	I	0.228
5	I	0.228

	x	y	z	Total
	0.000	0.000	-1.012	1.012
CHELPG
AIM
ESP

<r²>	495.594
(<r²>)^1/2	22.262

All results from a given calculation for CF2I2 (difluorodiiodomethane)

using model chemistry: M06-2X/3-21G

States and conformations

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)