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	hartrees
Energy at 0K	-633.480365
Energy at 298.15K
HF Energy	-632.356427
Nuclear repulsion energy	193.345564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3164	3164	0.32
2	A₁	1438	1438	0.25
3	A₁	510	510	0.13
4	A₁	121	121	0.01
5	A₂	1082	1082	0.00
6	B₁	3249	3249	2.98
7	B₁	738	738	6.81
8	B₂	1164	1164	95.41
9	B₂	629	629	28.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.049
I2	0.000	1.789	-0.091
I3	0.000	-1.789	-0.091
H4	-0.892	0.000	1.658
H5	0.892	0.000	1.658

	C1	I2	I3	H4	H5
C1		2.1213	2.1213	1.0803	1.0803
I2	2.1213		3.5790	2.6561	2.6561
I3	2.1213	3.5790		2.6561	2.6561
H4	1.0803	2.6561	2.6561		1.7844
H5	1.0803	2.6561	2.6561	1.7844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	115.039	I2	C1	H4	107.625
I2	C1	H5	107.625	I3	C1	H4	107.625
I3	C1	H5	107.625	H4	C1	H5	111.358

All results from a given calculation for CH₂I₂ (Diiodomethane)

using model chemistry: QCISD/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)