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	hartrees
Energy at 0K	-13814.974066
Energy at 298.15K
HF Energy	-13814.621760
Nuclear repulsion energy	603.287179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3124	3002	0.37
2	A₁	1486	1428	0.15
3	A₁	490	471	0.67
4	A₁	116	112	0.01
5	A₂	1100	1057	0.00
6	B₁	3206	3081	2.29
7	B₁	746	717	8.54
8	B₂	1192	1146	94.02
9	B₂	600	577	31.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.099
I2	0.000	1.845	-0.094
I3	0.000	-1.845	-0.094
H4	-0.905	0.000	1.708
H5	0.905	0.000	1.708

	C1	I2	I3	H4	H5
C1		2.1971	2.1971	1.0904	1.0904
I2	2.1971		3.6890	2.7330	2.7330
I3	2.1971	3.6890		2.7330	2.7330
H4	1.0904	2.7330	2.7330		1.8094
H5	1.0904	2.7330	2.7330	1.8094

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	114.180	I2	C1	H4	107.656
I2	C1	H5	107.656	I3	C1	H4	107.656
I3	C1	H5	107.656	H4	C1	H5	112.132

All results from a given calculation for CH₂I₂ (Diiodomethane)

using model chemistry: QCISD/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: QCISD/3-21G*

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)