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	hartrees
Energy at 0K	-13814.653718
Energy at 298.15K
HF Energy	-13814.487574
Nuclear repulsion energy	598.140973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3183	2996	2.75
2	A₁	1515	1426	0.08
3	A₁	478	450	0.59
4	A₁	121	114	0.00
5	A₂	1133	1066	0.00
6	B₁	3260	3069	0.14
7	B₁	759	714	11.84
8	B₂	1227	1155	111.62
9	B₂	608	572	37.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.068
I2	0.000	1.868	-0.092
I3	0.000	-1.868	-0.092
H4	-0.894	0.000	1.684
H5	0.894	0.000	1.684

	C1	I2	I3	H4	H5
C1		2.1992	2.1992	1.0859	1.0859
I2	2.1992		3.7363	2.7286	2.7286
I3	2.1992	3.7363		2.7286	2.7286
H4	1.0859	2.7286	2.7286		1.7883
H5	1.0859	2.7286	2.7286	1.7883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	116.311	I2	C1	H4	107.419
I2	C1	H5	107.419	I3	C1	H4	107.419
I3	C1	H5	107.419	H4	C1	H5	110.863

All results from a given calculation for CH₂I₂ (Diiodomethane)

using model chemistry: CISD/3-21G

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: CISD/3-21G

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)