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	hartrees
Energy at 0K	-14648.026587
Energy at 298.15K
HF Energy	-14647.912896
Nuclear repulsion energy	1244.194625

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	823	731	104.26	8.78	0.44	0.61
2	A₁	360	320	1.38	9.96	0.02	0.05
3	A₁	217	193	0.74	5.75	0.38	0.55
4	A₁	123	110	0.01	3.67	0.69	0.82
5	A₂	164	146	0.00	3.42	0.75	0.86
6	B₁	752	669	110.76	4.09	0.75	0.86
7	B₁	206	183	1.90	4.42	0.75	0.86
8	B₂	856	761	98.70	9.06	0.75	0.86
9	B₂	243	216	1.05	4.53	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.612
Cl2	0.000	1.498	1.735
Cl3	0.000	-1.498	1.735
I4	1.828	0.000	-0.591
I5	-1.828	0.000	-0.591

	C1	Cl2	Cl3	I4	I5
C1		1.8723	1.8723	2.1883	2.1883
Cl2	1.8723		2.9955	3.3161	3.3161
Cl3	1.8723	2.9955		3.3161	3.3161
I4	2.1883	3.3161	3.3161		3.6561
I5	2.1883	3.3161	3.3161	3.6561

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	106.255	Cl2	C1	I4	109.258
Cl2	C1	I5	109.258	Cl3	C1	I4	109.258
Cl3	C1	I5	109.258	I4	C1	I5	113.310

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)

using model chemistry: MP2=FULL/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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All results from a given calculation for CCl2I2 (dichlorodiiodomethane)

using model chemistry: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)