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	hartrees
Energy at 0K	-1546.978665
Energy at 298.15K
HF Energy	-1546.190564
Nuclear repulsion energy	564.244548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	795	795	80.51
2	A₁	377	377	0.06
3	A₁	222	222	0.12
4	A₁	119	119	0.06
5	A₂	167	167	0.00
6	B₁	721	721	60.36
7	B₁	207	207	0.36
8	B₂	828	828	76.44
9	B₂	244	244	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.650
Cl2	0.000	1.435	1.674
Cl3	0.000	-1.435	1.674
I4	1.759	0.000	-0.574
I5	-1.759	0.000	-0.574

	C1	Cl2	Cl3	I4	I5
C1		1.7627	1.7627	2.1428	2.1428
Cl2	1.7627		2.8695	3.1943	3.1943
Cl3	1.7627	2.8695		3.1943	3.1943
I4	2.1428	3.1943	3.1943		3.5186
I5	2.1428	3.1943	3.1943	3.5186

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	108.970	Cl2	C1	I4	109.368
Cl2	C1	I5	109.368	Cl3	C1	I4	109.368
Cl3	C1	I5	109.368	I4	C1	I5	110.377

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)

using model chemistry: CISD/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: CISD/cc-pVTZ-PP

States and conformations

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)