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	hartrees
Energy at 0K	-629.066741
Energy at 298.15K
HF Energy	-628.359714
Nuclear repulsion energy	192.442861

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3159	3159
2	A₁	1432	1432
3	A₁	502	502
4	A₁	119	119
5	A₂	1066	1066
6	B₁	3217	3217
7	B₁	726	726
8	B₂	1145	1145
9	B₂	616	616

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.052
I2	0.000	1.799	-0.091
I3	0.000	-1.799	-0.091
H4	-0.891	0.000	1.659
H5	0.891	0.000	1.659

	C1	I2	I3	H4	H5
C1		2.1315	2.1315	1.0782	1.0782
I2	2.1315		3.5985	2.6633	2.6633
I3	2.1315	3.5985		2.6633	2.6633
H4	1.0782	2.6633	2.6633		1.7825
H5	1.0782	2.6633	2.6633	1.7825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	115.159	I2	C1	H4	107.563
I2	C1	H5	107.563	I3	C1	H4	107.563
I3	C1	H5	107.563	H4	C1	H5	111.496

All results from a given calculation for CH₂I₂ (Diiodomethane)

using model chemistry: QCISD(T)=FULL/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: QCISD(T)=FULL/cc-pVTZ-PP

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)