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	hartrees
Energy at 0K	-13873.145679
Energy at 298.15K
HF Energy	-13872.654075
Nuclear repulsion energy	614.365294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3239	3009	0.68
2	A₁	1501	1394	0.00
3	A₁	511	475	0.35
4	A₁	126	117	0.03
5	A₂	1151	1070	0.00
6	B₁	3323	3087	2.83
7	B₁	770	716	10.47
8	B₂	1246	1158	112.77
9	B₂	630	585	31.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.046
I2	0.000	1.817	-0.091
I3	0.000	-1.817	-0.091
H4	-0.888	0.000	1.660
H5	0.888	0.000	1.660

	C1	I2	I3	H4	H5
C1		2.1426	2.1426	1.0792	1.0792
I2	2.1426		3.6330	2.6740	2.6740
I3	2.1426	3.6330		2.6740	2.6740
H4	1.0792	2.6740	2.6740		1.7753
H5	1.0792	2.6740	2.6740	1.7753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	115.946	I2	C1	H4	107.555
I2	C1	H5	107.555	I3	C1	H4	107.555
I3	C1	H5	107.555	H4	C1	H5	110.676

All results from a given calculation for CH₂I₂ (Diiodomethane)

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

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)