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	hartrees
Energy at 0K	-1547.189056
Energy at 298.15K
HF Energy	-1546.190744
Nuclear repulsion energy	560.643782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	753	718	79.47
2	A₁	362	345	0.02
3	A₁	213	203	0.07
4	A₁	114	109	0.06
5	A₂	159	152	0.00
6	B₁	678	647	63.35
7	B₁	198	189	0.23
8	B₂	787	751	73.73
9	B₂	234	223	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.656
Cl2	0.000	1.444	1.685
Cl3	0.000	-1.444	1.685
I4	1.769	0.000	-0.578
I5	-1.769	0.000	-0.578

	C1	Cl2	Cl3	I4	I5
C1		1.7737	1.7737	2.1570	2.1570
Cl2	1.7737		2.8889	3.2154	3.2154
Cl3	1.7737	2.8889		3.2154	3.2154
I4	2.1570	3.2154	3.2154		3.5386
I5	2.1570	3.2154	3.2154	3.5386

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.046	Cl2	C1	I4	109.388
Cl2	C1	I5	109.388	Cl3	C1	I4	109.388
Cl3	C1	I5	109.388	I4	C1	I5	110.221

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)

using model chemistry: CCSD/cc-pVTZ-PP

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: CCSD/cc-pVTZ-PP

States and conformations

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)