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	hartrees
Energy at 0K	-1547.182688
Energy at 298.15K
HF Energy	-1546.190763
Nuclear repulsion energy	560.957734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	757	757	82.42
2	A₁	364	364	0.03
3	A₁	214	214	0.06
4	A₁	115	115	0.06
5	A₂	160	160	0.00
6	B₁	681	681	62.99
7	B₁	199	199	0.22
8	B₂	790	790	77.34
9	B₂	235	235	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.657
Cl2	0.000	1.443	1.685
Cl3	0.000	-1.443	1.685
I4	1.769	0.000	-0.578
I5	-1.769	0.000	-0.578

	C1	Cl2	Cl3	I4	I5
C1		1.7712	1.7712	2.1571	2.1571
Cl2	1.7712		2.8857	3.2137	3.2137
Cl3	1.7712	2.8857		3.2137	3.2137
I4	2.1571	3.2137	3.2137		3.5376
I5	2.1571	3.2137	3.2137	3.5376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.093	Cl2	C1	I4	109.392
Cl2	C1	I5	109.392	Cl3	C1	I4	109.392
Cl3	C1	I5	109.392	I4	C1	I5	110.163

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)

using model chemistry: MP3/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: MP3/cc-pVTZ-PP

States and conformations

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)