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	hartrees
Energy at 0K	-13874.194364
Energy at 298.15K
HF Energy	-13872.657332
Nuclear repulsion energy	611.048106

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3170	3170	1.04
2	A₁	1440	1440	0.29
3	A₁	492	492	0.17
4	A₁	122	122	0.02
5	A₂	1098	1098	0.00
6	B₁	3249	3249	1.57
7	B₁	738	738	8.65
8	B₂	1195	1195	112.77
9	B₂	600	600	28.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.051
I2	0.000	1.827	-0.091
I3	0.000	-1.827	-0.091
H4	-0.894	0.000	1.666
H5	0.894	0.000	1.666

	C1	I2	I3	H4	H5
C1		2.1539	2.1539	1.0857	1.0857
I2	2.1539		3.6531	2.6876	2.6876
I3	2.1539	3.6531		2.6876	2.6876
H4	1.0857	2.6876	2.6876		1.7888
H5	1.0857	2.6876	2.6876	1.7888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	115.990	I2	C1	H4	107.484
I2	C1	H5	107.484	I3	C1	H4	107.484
I3	C1	H5	107.484	H4	C1	H5	110.932

All results from a given calculation for CH₂I₂ (Diiodomethane)

using model chemistry: CCSD=FULL/6-311G**

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 CH2I2 (Diiodomethane)

using model chemistry: CCSD=FULL/6-311G**

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)