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	hartrees
Energy at 0K	-981.198338
Energy at 298.15K
HF Energy	-981.198338
Nuclear repulsion energy	213.394500

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	680	680	123.31	7.88	0.75	0.86
2	A₁	337	337	0.08	18.44	0.05	0.09
3	A₁	205	205	0.05	13.37	0.31	0.48
4	A₁	115	115	0.19	8.14	0.70	0.82
5	A₂	158	158	0.00	6.36	0.75	0.86
6	B₁	630	630	120.05	8.07	0.75	0.86
7	B₁	194	194	0.14	9.67	0.75	0.86
8	B₂	690	690	110.96	5.27	0.75	0.86
9	B₂	230	230	0.12	9.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.636
Cl2	0.000	1.495	1.729
Cl3	0.000	-1.495	1.729
I4	1.804	0.000	-0.591
I5	-1.804	0.000	-0.591

	C1	Cl2	Cl3	I4	I5
C1		1.8518	1.8518	2.1818	2.1818
Cl2	1.8518		2.9903	3.2971	3.2971
Cl3	1.8518	2.9903		3.2971	3.2971
I4	2.1818	3.2971	3.2971		3.6082
I5	2.1818	3.2971	3.2971	3.6082

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	107.682	Cl2	C1	I4	109.380
Cl2	C1	I5	109.380	Cl3	C1	I4	109.380
Cl3	C1	I5	109.380	I4	C1	I5	111.557

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)

using model chemistry: wB97X-D/SDD

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	-0.789
2	Cl	0.097
3	Cl	0.097
4	I	0.297
5	I	0.297

	x	y	z	Total
	0.000	0.000	-1.507	1.507
CHELPG
AIM
ESP

<r²>	274.696
(<r²>)^1/2	16.574

All results from a given calculation for CCl2I2 (dichlorodiiodomethane)

using model chemistry: wB97X-D/SDD

States and conformations

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)