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	hartrees
Energy at 0K	-633.664542
Energy at 298.15K
HF Energy	-632.356395
Nuclear repulsion energy	193.928216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3167	3167	0.23
2	A₁	1438	1438	0.14
3	A₁	513	513	0.08
4	A₁	122	122	0.01
5	A₂	1083	1083	0.00
6	B₁	3252	3252	3.33
7	B₁	734	734	7.01
8	B₂	1162	1162	91.98
9	B₂	635	635	25.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.044
I2	0.000	1.784	-0.090
I3	0.000	-1.784	-0.090
H4	-0.889	0.000	1.652
H5	0.889	0.000	1.652

	C1	I2	I3	H4	H5
C1		2.1143	2.1143	1.0777	1.0777
I2	2.1143		3.5689	2.6480	2.6480
I3	2.1143	3.5689		2.6480	2.6480
H4	1.0777	2.6480	2.6480		1.7789
H5	1.0777	2.6480	2.6480	1.7789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	115.127	I2	C1	H4	107.630
I2	C1	H5	107.630	I3	C1	H4	107.630
I3	C1	H5	107.630	H4	C1	H5	111.242

All results from a given calculation for CH₂I₂ (Diiodomethane)

using model chemistry: CCSD=FULL/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: CCSD=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)