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	hartrees
Energy at 0K	-14736.982865
Energy at 298.15K
HF Energy	-14736.982865
Nuclear repulsion energy	1272.109529

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	690	658	113.20	12.24	0.49	0.66
2	A₁	353	337	0.11	14.98	0.02	0.04
3	A₁	209	200	0.07	9.01	0.23	0.37
4	A₁	106	101	0.05	3.47	0.62	0.77
5	A₂	152	145	0.00	2.98	0.75	0.86
6	B₁	660	630	89.00	14.90	0.75	0.86
7	B₁	193	184	0.20	5.20	0.75	0.86
8	B₂	692	661	104.94	3.19	0.75	0.86
9	B₂	223	212	0.21	4.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.669
Cl2	0.000	1.456	1.702
Cl3	0.000	-1.456	1.702
I4	1.783	0.000	-0.584
I5	-1.783	0.000	-0.584

	C1	Cl2	Cl3	I4	I5
C1		1.7858	1.7858	2.1789	2.1789
Cl2	1.7858		2.9127	3.2443	3.2443
Cl3	1.7858	2.9127		3.2443	3.2443
I4	2.1789	3.2443	3.2443		3.5659
I5	2.1789	3.2443	3.2443	3.5659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.277	Cl2	C1	I4	109.431
Cl2	C1	I5	109.431	Cl3	C1	I4	109.431
Cl3	C1	I5	109.431	I4	C1	I5	109.826

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)

using model chemistry: B1B95/3-21G*

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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Number	Element	Mulliken
1	C	-0.602
2	Cl	0.104
3	Cl	0.104
4	I	0.197
5	I	0.197

	x	y	z	Total
	0.000	0.000	-0.913	0.913
CHELPG
AIM
ESP

<r²>	599.724
(<r²>)^1/2	24.489

All results from a given calculation for CCl2I2 (dichlorodiiodomethane)

using model chemistry: B1B95/3-21G*

States and conformations

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)