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	hartrees
Energy at 0K	-1547.157129
Energy at 298.15K
HF Energy	-1546.190729
Nuclear repulsion energy	561.942025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	738	738	90.96	7.59	0.39	0.56
2	A₁	360	360	0.00	10.84	0.02	0.04
3	A₁	212	212	0.00	6.80	0.21	0.34
4	A₁	113	113	0.07	2.62	0.61	0.76
5	A₂	157	157	0.00	2.22	0.75	0.86
6	B₁	661	661	79.59	9.35	0.75	0.86
7	B₁	198	198	0.07	3.45	0.75	0.86
8	B₂	774	774	81.75	1.31	0.75	0.86
9	B₂	233	233	0.37	3.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.660
Cl2	0.000	1.442	1.684
Cl3	0.000	-1.442	1.684
I4	1.762	0.000	-0.577
I5	-1.762	0.000	-0.577

	C1	Cl2	Cl3	I4	I5
C1		1.7687	1.7687	2.1533	2.1533
Cl2	1.7687		2.8848	3.2091	3.2091
Cl3	1.7687	2.8848		3.2091	3.2091
I4	2.1533	3.2091	3.2091		3.5244
I5	2.1533	3.2091	3.2091	3.5244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.277	Cl2	C1	I4	109.426
Cl2	C1	I5	109.426	Cl3	C1	I4	109.426
Cl3	C1	I5	109.426	I4	C1	I5	109.846

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)

using model chemistry: MP2/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: MP2/cc-pVTZ-PP

States and conformations

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)