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	hartrees
Energy at 0K	-14728.120165
Energy at 298.15K
HF Energy	-14727.871450
Nuclear repulsion energy	1235.991270

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	689	642	73.81
2	A₁	323	301	0.38
3	A₁	203	189	0.71
4	A₁	115	107	0.07
5	A₂	154	144	0.00
6	B₁	689	642	54.17
7	B₁	192	179	1.29
8	B₂	672	626	76.89
9	B₂	228	212	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.605
Cl2	0.000	1.514	1.750
Cl3	0.000	-1.514	1.750
I4	1.837	0.000	-0.596
I5	-1.837	0.000	-0.596

	C1	Cl2	Cl3	I4	I5
C1		1.8983	1.8983	2.1945	2.1945
Cl2	1.8983		3.0279	3.3421	3.3421
Cl3	1.8983	3.0279		3.3421	3.3421
I4	2.1945	3.3421	3.3421		3.6739
I5	2.1945	3.3421	3.3421	3.6739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	105.787	Cl2	C1	I4	109.274
Cl2	C1	I5	109.274	Cl3	C1	I4	109.274
Cl3	C1	I5	109.274	I4	C1	I5	113.661

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)

using model chemistry: CID/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: CID/3-21G

States and conformations

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)