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	hartrees
Energy at 0K	-1551.684429
Energy at 298.15K
HF Energy	-1550.172723
Nuclear repulsion energy	562.535817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	753	753	78.28
2	A₁	362	362	0.02
3	A₁	213	213	0.06
4	A₁	114	114	0.07
5	A₂	159	159	0.00
6	B₁	676	676	62.41
7	B₁	198	198	0.21
8	B₂	788	788	73.40
9	B₂	234	234	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.655
Cl2	0.000	1.442	1.681
Cl3	0.000	-1.442	1.681
I4	1.761	0.000	-0.576
I5	-1.761	0.000	-0.576

	C1	Cl2	Cl3	I4	I5
C1		1.7691	1.7691	2.1487	2.1487
Cl2	1.7691		2.8832	3.2051	3.2051
Cl3	1.7691	2.8832		3.2051	3.2051
I4	2.1487	3.2051	3.2051		3.5217
I5	2.1487	3.2051	3.2051	3.5217

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.148	Cl2	C1	I4	109.402
Cl2	C1	I5	109.402	Cl3	C1	I4	109.402
Cl3	C1	I5	109.402	I4	C1	I5	110.068

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)

using model chemistry: CCSD/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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All results from a given calculation for CCl2I2 (dichlorodiiodomethane)

using model chemistry: CCSD/Def2TZVPP

States and conformations

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)