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	hartrees
Energy at 0K	-1547.190931
Energy at 298.15K
HF Energy	-1546.190732
Nuclear repulsion energy	560.399915

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	749	749	82.16
2	A₁	360	360	0.02
3	A₁	213	213	0.06
4	A₁	114	114	0.07
5	A₂	159	159	0.00
6	B₁	675	675	67.20
7	B₁	198	198	0.21
8	B₂	783	783	75.52
9	B₂	234	234	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.656
Cl2	0.000	1.445	1.686
Cl3	0.000	-1.445	1.686
I4	1.770	0.000	-0.578
I5	-1.770	0.000	-0.578

	C1	Cl2	Cl3	I4	I5
C1		1.7748	1.7748	2.1577	2.1577
Cl2	1.7748		2.8905	3.2169	3.2169
Cl3	1.7748	2.8905		3.2169	3.2169
I4	2.1577	3.2169	3.2169		3.5396
I5	2.1577	3.2169	3.2169	3.5396

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.040	Cl2	C1	I4	109.391
Cl2	C1	I5	109.391	Cl3	C1	I4	109.391
Cl3	C1	I5	109.391	I4	C1	I5	110.219

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)

using model chemistry: QCISD/cc-pVTZ-PP

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: QCISD/cc-pVTZ-PP

States and conformations

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)