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	hartrees
Energy at 0K	-628.881402
Energy at 298.15K
HF Energy	-628.359618
Nuclear repulsion energy	193.528034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3241	3241	0.17
2	A₁	1484	1484	0.13
3	A₁	528	528	0.18
4	A₁	126	126	0.02
5	A₂	1121	1121	0.00
6	B₁	3325	3325	4.02
7	B₁	761	761	6.78
8	B₂	1208	1208	102.70
9	B₂	659	659	26.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.042
I2	0.000	1.790	-0.090
I3	0.000	-1.790	-0.090
H4	-0.885	0.000	1.651
H5	0.885	0.000	1.651

	C1	I2	I3	H4	H5
C1		2.1179	2.1179	1.0744	1.0744
I2	2.1179		3.5799	2.6492	2.6492
I3	2.1179	3.5799		2.6492	2.6492
H4	1.0744	2.6492	2.6492		1.7708
H5	1.0744	2.6492	2.6492	1.7708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	115.372	I2	C1	H4	107.628
I2	C1	H5	107.628	I3	C1	H4	107.628
I3	C1	H5	107.628	H4	C1	H5	110.987

All results from a given calculation for CH₂I₂ (Diiodomethane)

using model chemistry: CISD/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: CISD/cc-pVTZ-PP

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)