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	hartrees
Energy at 0K	-14728.745406
Energy at 298.15K
HF Energy	-14728.222858
Nuclear repulsion energy	1263.801897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	742	693	74.97
2	A₁	362	338	0.15
3	A₁	218	204	0.25
4	A₁	115	108	0.05
5	A₂	164	153	0.00
6	B₁	706	660	55.30
7	B₁	202	189	0.52
8	B₂	746	697	69.56
9	B₂	235	220	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.668
Cl2	0.000	1.458	1.708
Cl3	0.000	-1.458	1.708
I4	1.801	0.000	-0.586
I5	-1.801	0.000	-0.586

	C1	Cl2	Cl3	I4	I5
C1		1.7911	1.7911	2.1940	2.1940
Cl2	1.7911		2.9158	3.2603	3.2603
Cl3	1.7911	2.9158		3.2603	3.2603
I4	2.1940	3.2603	3.2603		3.6017
I5	2.1940	3.2603	3.2603	3.6017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	108.970	Cl2	C1	I4	109.379
Cl2	C1	I5	109.379	Cl3	C1	I4	109.379
Cl3	C1	I5	109.379	I4	C1	I5	110.333

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)

using model chemistry: CISD/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: CISD/3-21G*

States and conformations

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)