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	hartrees
Energy at 0K	-1553.733657
Energy at 298.15K
HF Energy	-1553.733657
Nuclear repulsion energy	562.362793

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	736	736	99.32	26.73	0.36	0.53
2	A₁	362	362	0.00	14.93	0.00	0.01
3	A₁	211	211	0.00	9.76	0.20	0.34
4	A₁	114	114	0.06	3.42	0.58	0.73
5	A₂	158	158	0.00	2.45	0.75	0.86
6	B₁	652	652	84.18	28.55	0.75	0.86
7	B₁	197	197	0.06	4.88	0.75	0.86
8	B₂	771	771	90.83	2.53	0.75	0.86
9	B₂	233	233	0.38	2.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.663
Cl2	0.000	1.438	1.682
Cl3	0.000	-1.438	1.682
I4	1.764	0.000	-0.577
I5	-1.764	0.000	-0.577

	C1	Cl2	Cl3	I4	I5
C1		1.7626	1.7626	2.1560	2.1560
Cl2	1.7626		2.8757	3.2066	3.2066
Cl3	1.7626	2.8757		3.2066	3.2066
I4	2.1560	3.2066	3.2066		3.5277
I5	2.1560	3.2066	3.2066	3.5277

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.329	Cl2	C1	I4	109.425
Cl2	C1	I5	109.425	Cl3	C1	I4	109.425
Cl3	C1	I5	109.425	I4	C1	I5	109.798

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)

using model chemistry: M06-2X/Def2TZVPP

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	-0.060
2	Cl	0.004
3	Cl	0.004
4	I	0.026
5	I	0.026

	x	y	z	Total
	0.000	0.000	-0.584	0.584
CHELPG
AIM
ESP

<r²>	392.782
(<r²>)^1/2	19.819

All results from a given calculation for CCl2I2 (dichlorodiiodomethane)

using model chemistry: M06-2X/Def2TZVPP

States and conformations

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)