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	hartrees
Energy at 0K	-13873.224191
Energy at 298.15K
HF Energy	-13872.653829
Nuclear repulsion energy	610.268630

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3144	3010	1.08
2	A₁	1456	1394	0.03
3	A₁	489	468	0.29
4	A₁	121	116	0.02
5	A₂	1109	1062	0.00
6	B₁	3226	3088	1.70
7	B₁	749	717	10.16
8	B₂	1203	1152	106.35
9	B₂	593	568	33.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.055
I2	0.000	1.828	-0.091
I3	0.000	-1.828	-0.091
H4	-0.895	0.000	1.671
H5	0.895	0.000	1.671

	C1	I2	I3	H4	H5
C1		2.1581	2.1581	1.0868	1.0868
I2	2.1581		3.6566	2.6928	2.6928
I3	2.1581	3.6566		2.6928	2.6928
H4	1.0868	2.6928	2.6928		1.7907
H5	1.0868	2.6928	2.6928	1.7907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	115.812	I2	C1	H4	107.526
I2	C1	H5	107.526	I3	C1	H4	107.526
I3	C1	H5	107.526	H4	C1	H5	110.949

All results from a given calculation for CH₂I₂ (Diiodomethane)

using model chemistry: QCISD/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: QCISD/6-311G*

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)