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	hartrees
Energy at 0K	-14728.151667
Energy at 298.15K
HF Energy	-14727.870591
Nuclear repulsion energy	1229.240536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	659	641	69.44
2	A₁	312	303	0.23
3	A₁	197	191	0.53
4	A₁	112	109	0.08
5	A₂	150	145	0.00
6	B₁	658	640	62.57
7	B₁	186	181	1.02
8	B₂	647	629	65.34
9	B₂	222	215	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.607
Cl2	0.000	1.524	1.761
Cl3	0.000	-1.524	1.761
I4	1.846	0.000	-0.599
I5	-1.846	0.000	-0.599

	C1	Cl2	Cl3	I4	I5
C1		1.9121	1.9121	2.2048	2.2048
Cl2	1.9121		3.0484	3.3617	3.3617
Cl3	1.9121	3.0484		3.3617	3.3617
I4	2.2048	3.3617	3.3617		3.6916
I5	2.2048	3.3617	3.3617	3.6916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	105.714	Cl2	C1	I4	109.282
Cl2	C1	I5	109.282	Cl3	C1	I4	109.282
Cl3	C1	I5	109.282	I4	C1	I5	113.692

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)

using model chemistry: CCD/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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All results from a given calculation for CCl2I2 (dichlorodiiodomethane)

using model chemistry: CCD/3-21G

States and conformations

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)