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	hartrees
Energy at 0K	-1547.293995
Energy at 298.15K
HF Energy	-1546.190656
Nuclear repulsion energy	563.305259

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	743	743	89.17	7.88	0.37	0.54
2	A₁	362	362	0.01	10.72	0.02	0.04
3	A₁	213	213	0.00	6.77	0.21	0.34
4	A₁	114	114	0.07	2.60	0.61	0.76
5	A₂	159	159	0.00	2.20	0.75	0.86
6	B₁	661	661	77.21	9.64	0.75	0.86
7	B₁	199	199	0.07	3.41	0.75	0.86
8	B₂	782	782	80.58	1.18	0.75	0.86
9	B₂	233	233	0.35	2.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.660
Cl2	0.000	1.438	1.679
Cl3	0.000	-1.438	1.679
I4	1.759	0.000	-0.576
I5	-1.759	0.000	-0.576

	C1	Cl2	Cl3	I4	I5
C1		1.7627	1.7627	2.1497	2.1497
Cl2	1.7627		2.8769	3.2010	3.2010
Cl3	1.7627	2.8769		3.2010	3.2010
I4	2.1497	3.2010	3.2010		3.5178
I5	2.1497	3.2010	3.2010	3.5178

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.382	Cl2	C1	I4	109.408
Cl2	C1	I5	109.408	Cl3	C1	I4	109.408
Cl3	C1	I5	109.408	I4	C1	I5	109.811

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)

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

States and conformations

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)