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	hartrees
Energy at 0K	-14733.574256
Energy at 298.15K
HF Energy	-14733.354581
Nuclear repulsion energy	1256.865381

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	674	674	105.77	13.37	0.52	0.68
2	A₁	344	344	0.15	14.83	0.02	0.05
3	A₁	206	206	0.04	9.75	0.21	0.35
4	A₁	108	108	0.06	3.63	0.61	0.75
5	A₂	154	154	0.00	2.99	0.75	0.86
6	B₁	642	642	88.54	15.77	0.75	0.86
7	B₁	191	191	0.11	5.54	0.75	0.86
8	B₂	672	672	95.61	3.91	0.75	0.86
9	B₂	224	224	0.32	4.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.675
Cl2	0.000	1.468	1.720
Cl3	0.000	-1.468	1.720
I4	1.808	0.000	-0.590
I5	-1.808	0.000	-0.590

	C1	Cl2	Cl3	I4	I5
C1		1.8024	1.8024	2.2066	2.2066
Cl2	1.8024		2.9369	3.2803	3.2803
Cl3	1.8024	2.9369		3.2803	3.2803
I4	2.2066	3.2803	3.2803		3.6169
I5	2.2066	3.2803	3.2803	3.6169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.124	Cl2	C1	I4	109.404
Cl2	C1	I5	109.404	Cl3	C1	I4	109.404
Cl3	C1	I5	109.404	I4	C1	I5	110.084

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/3-21G*

States and conformations

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)