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	hartrees
Energy at 0K	-57.159437
Energy at 298.15K
HF Energy	-57.159437
Nuclear repulsion energy	76.912747

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	738	674	109.69	50.59	0.74	0.85
2	A₁	355	324	0.01	30.83	0.01	0.03
3	A₁	214	196	0.66	18.68	0.30	0.46
4	A₁	121	110	0.13	8.21	0.66	0.80
5	A₂	166	151	0.00	6.52	0.75	0.86
6	B₁	691	630	86.26	50.65	0.75	0.86
7	B₁	203	185	1.32	11.40	0.75	0.86
8	B₂	754	688	108.63	32.77	0.75	0.86
9	B₂	245	223	0.13	9.92	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.634
Cl2	0.000	1.494	1.724
Cl3	0.000	-1.494	1.724
I4	1.809	0.000	-0.589
I5	-1.809	0.000	-0.589

	C1	Cl2	Cl3	I4	I5
C1		1.8495	1.8495	2.1839	2.1839
Cl2	1.8495		2.9881	3.2950	3.2950
Cl3	1.8495	2.9881		3.2950	3.2950
I4	2.1839	3.2950	3.2950		3.6187
I5	2.1839	3.2950	3.2950	3.6187

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	107.767	Cl2	C1	I4	109.274
Cl2	C1	I5	109.274	Cl3	C1	I4	109.274
Cl3	C1	I5	109.274	I4	C1	I5	111.886

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)

using model chemistry: HF/CEP-121G

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	-0.936
2	Cl	0.102
3	Cl	0.102
4	I	0.366
5	I	0.366

	x	y	z	Total
	0.000	0.000	-1.856	1.856
CHELPG
AIM
ESP

<r²>	169.274
(<r²>)^1/2	13.011

All results from a given calculation for CCl2I2 (dichlorodiiodomethane)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)