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	hartrees
Energy at 0K	-633.479299
Energy at 298.15K
HF Energy	-632.356427
Nuclear repulsion energy	193.396852

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3167	3167	0.28
2	A₁	1439	1439	0.21
3	A₁	512	512	0.11
4	A₁	121	121	0.01
5	A₂	1084	1084	0.00
6	B₁	3252	3252	3.12
7	B₁	738	738	6.85
8	B₂	1166	1166	94.25
9	B₂	631	631	26.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.047
I2	0.000	1.789	-0.091
I3	0.000	-1.789	-0.091
H4	-0.892	0.000	1.657
H5	0.892	0.000	1.657

	C1	I2	I3	H4	H5
C1		2.1205	2.1205	1.0801	1.0801
I2	2.1205		3.5785	2.6551	2.6551
I3	2.1205	3.5785		2.6551	2.6551
H4	1.0801	2.6551	2.6551		1.7836
H5	1.0801	2.6551	2.6551	1.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	115.086	I2	C1	H4	107.623
I2	C1	H5	107.623	I3	C1	H4	107.623
I3	C1	H5	107.623	H4	C1	H5	111.314

All results from a given calculation for CH₂I₂ (Diiodomethane)

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 CH2I2 (Diiodomethane)

using model chemistry: CCSD/Def2TZVPP

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)