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	hartrees
Energy at 0K	-1547.183284
Energy at 298.15K
HF Energy	-1546.190754
Nuclear repulsion energy	560.999412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	759	759	76.83
2	A₁	363	363	0.02
3	A₁	214	214	0.07
4	A₁	115	115	0.06
5	A₂	160	160	0.00
6	B₁	683	683	60.91
7	B₁	199	199	0.23
8	B₂	794	794	71.31
9	B₂	235	235	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.656
Cl2	0.000	1.443	1.684
Cl3	0.000	-1.443	1.684
I4	1.768	0.000	-0.577
I5	-1.768	0.000	-0.577

	C1	Cl2	Cl3	I4	I5
C1		1.7724	1.7724	2.1558	2.1558
Cl2	1.7724		2.8867	3.2134	3.2134
Cl3	1.7724	2.8867		3.2134	3.2134
I4	2.1558	3.2134	3.2134		3.5366
I5	2.1558	3.2134	3.2134	3.5366

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.051	Cl2	C1	I4	109.389
Cl2	C1	I5	109.389	Cl3	C1	I4	109.389
Cl3	C1	I5	109.389	I4	C1	I5	110.216

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)

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

States and conformations

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)