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	hartrees
Energy at 0K	-14728.881967
Energy at 298.15K
HF Energy	-14728.222485
Nuclear repulsion energy	1258.112501

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	693	657	94.46	9.84	0.47	0.64
2	A₁	348	330	0.00	11.33	0.03	0.06
3	A₁	210	199	0.03	7.85	0.22	0.37
4	A₁	111	105	0.04	3.05	0.62	0.77
5	A₂	157	149	0.00	2.66	0.75	0.86
6	B₁	655	621	88.28	11.95	0.75	0.86
7	B₁	195	185	0.14	4.68	0.75	0.86
8	B₂	701	665	79.04	2.46	0.75	0.86
9	B₂	228	216	0.17	3.91	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.680
Cl2	0.000	1.466	1.720
Cl3	0.000	-1.466	1.720
I4	1.806	0.000	-0.590
I5	-1.806	0.000	-0.590

	C1	Cl2	Cl3	I4	I5
C1		1.7971	1.7971	2.2078	2.2078
Cl2	1.7971		2.9316	3.2781	3.2781
Cl3	1.7971	2.9316		3.2781	3.2781
I4	2.2078	3.2781	3.2781		3.6111
I5	2.2078	3.2781	3.2781	3.6111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.305	Cl2	C1	I4	109.447
Cl2	C1	I5	109.447	Cl3	C1	I4	109.447
Cl3	C1	I5	109.447	I4	C1	I5	109.733

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)