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	hartrees
Energy at 0K	-14652.658082
Energy at 298.15K
HF Energy	-14652.658082
Nuclear repulsion energy	1251.834110

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	797	704	159.45	7.19	0.36	0.53
2	A₁	357	315	1.27	12.36	0.01	0.02
3	A₁	212	188	0.42	6.93	0.35	0.51
4	A₁	120	106	0.00	4.42	0.68	0.81
5	A₂	159	140	0.00	3.54	0.75	0.86
6	B₁	732	646	157.73	4.46	0.75	0.86
7	B₁	202	179	1.27	5.27	0.75	0.86
8	B₂	822	726	150.91	5.48	0.75	0.86
9	B₂	240	212	0.84	5.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.608
Cl2	0.000	1.488	1.725
Cl3	0.000	-1.488	1.725
I4	1.817	0.000	-0.588
I5	-1.817	0.000	-0.588

	C1	Cl2	Cl3	I4	I5
C1		1.8603	1.8603	2.1752	2.1752
Cl2	1.8603		2.9758	3.2958	3.2958
Cl3	1.8603	2.9758		3.2958	3.2958
I4	2.1752	3.2958	3.2958		3.6341
I5	2.1752	3.2958	3.2958	3.6341

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	106.225	Cl2	C1	I4	109.265
Cl2	C1	I5	109.265	Cl3	C1	I4	109.265
Cl3	C1	I5	109.265	I4	C1	I5	113.310

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)

using model chemistry: HSEh1PBE/STO-3G

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	-0.087
2	Cl	-0.094
3	Cl	-0.094
4	I	0.137
5	I	0.137

	x	y	z	Total
	0.000	0.000	-1.514	1.514
CHELPG
AIM
ESP

<r²>	616.870
(<r²>)^1/2	24.837

All results from a given calculation for CCl2I2 (dichlorodiiodomethane)

using model chemistry: HSEh1PBE/STO-3G

States and conformations

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)