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	hartrees
Energy at 0K	-14653.661686
Energy at 298.15K
HF Energy	-14653.661686
Nuclear repulsion energy	1241.780927

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	763	681	156.85	8.04	0.34	0.51
2	A₁	344	307	0.98	13.37	0.01	0.02
3	A₁	206	183	0.34	7.39	0.35	0.52
4	A₁	117	104	0.00	4.63	0.68	0.81
5	A₂	155	138	0.00	3.71	0.75	0.86
6	B₁	706	630	156.10	4.47	0.75	0.86
7	B₁	196	175	1.09	5.61	0.75	0.86
8	B₂	783	699	147.03	6.28	0.75	0.86
9	B₂	233	208	0.59	5.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.607
Cl2	0.000	1.503	1.739
Cl3	0.000	-1.503	1.739
I4	1.831	0.000	-0.592
I5	-1.831	0.000	-0.592

	C1	Cl2	Cl3	I4	I5
C1		1.8811	1.8811	2.1889	2.1889
Cl2	1.8811		3.0052	3.3233	3.3233
Cl3	1.8811	3.0052		3.3233	3.3233
I4	2.1889	3.3233	3.3233		3.6624
I5	2.1889	3.3233	3.3233	3.6624

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	106.031	Cl2	C1	I4	109.244
Cl2	C1	I5	109.244	Cl3	C1	I4	109.244
Cl3	C1	I5	109.244	I4	C1	I5	113.558

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)

using model chemistry: B3LYP/STO-3G

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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Number	Element	Mulliken
1	C	-0.094
2	Cl	-0.098
3	Cl	-0.098
4	I	0.146
5	I	0.146

	x	y	z	Total
	0.000	0.000	-1.662	1.662
CHELPG
AIM
ESP

<r²>	625.943
(<r²>)^1/2	25.019

All results from a given calculation for CCl2I2 (dichlorodiiodomethane)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)