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	hartrees
Energy at 0K	-628.971509
Energy at 298.15K
HF Energy	-628.359649
Nuclear repulsion energy	192.619137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3161	3015	0.31
2	A₁	1439	1373	0.21
3	A₁	511	488	0.12
4	A₁	122	116	0.02
5	A₂	1082	1032	0.00
6	B₁	3242	3093	3.06
7	B₁	738	704	6.49
8	B₂	1166	1112	94.71
9	B₂	633	604	26.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.050
I2	0.000	1.797	-0.091
I3	0.000	-1.797	-0.091
H4	-0.892	0.000	1.661
H5	0.892	0.000	1.661

	C1	I2	I3	H4	H5
C1		2.1288	2.1288	1.0809	1.0809
I2	2.1288		3.5947	2.6634	2.6634
I3	2.1288	3.5947		2.6634	2.6634
H4	1.0809	2.6634	2.6634		1.7837
H5	1.0809	2.6634	2.6634	1.7837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	115.196	I2	C1	H4	107.623
I2	C1	H5	107.623	I3	C1	H4	107.623
I3	C1	H5	107.623	H4	C1	H5	111.196

All results from a given calculation for CH₂I₂ (Diiodomethane)

using model chemistry: CCSD/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 CH2I2 (Diiodomethane)

using model chemistry: CCSD/cc-pVTZ-PP

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)