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	hartrees
Energy at 0K	-1547.311969
Energy at 298.15K
HF Energy	-1546.190747
Nuclear repulsion energy	562.223851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	761	761	80.20
2	A₁	366	366	0.02
3	A₁	215	215	0.06
4	A₁	115	115	0.06
5	A₂	161	161	0.00
6	B₁	682	682	60.51
7	B₁	200	200	0.22
8	B₂	797	797	75.52
9	B₂	236	236	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.657
Cl2	0.000	1.439	1.681
Cl3	0.000	-1.439	1.681
I4	1.765	0.000	-0.576
I5	-1.765	0.000	-0.576

	C1	Cl2	Cl3	I4	I5
C1		1.7660	1.7660	2.1535	2.1535
Cl2	1.7660		2.8784	3.2063	3.2063
Cl3	1.7660	2.8784		3.2063	3.2063
I4	2.1535	3.2063	3.2063		3.5307
I5	2.1535	3.2063	3.2063	3.5307

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.165	Cl2	C1	I4	109.384
Cl2	C1	I5	109.384	Cl3	C1	I4	109.384
Cl3	C1	I5	109.384	I4	C1	I5	110.124

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)

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

States and conformations

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)