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	hartrees
Energy at 0K	-628.967983
Energy at 298.15K
HF Energy	-628.359692
Nuclear repulsion energy	192.729925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3193	3193	0.05
2	A₁	1444	1444	0.10
3	A₁	514	514	0.11
4	A₁	122	122	0.02
5	A₂	1087	1087	0.00
6	B₁	3276	3276	3.89
7	B₁	739	739	6.63
8	B₂	1170	1170	90.55
9	B₂	637	637	24.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.048
I2	0.000	1.797	-0.091
I3	0.000	-1.797	-0.091
H4	-0.890	0.000	1.657
H5	0.890	0.000	1.657

	C1	I2	I3	H4	H5
C1		2.1273	2.1273	1.0786	1.0786
I2	2.1273		3.5940	2.6599	2.6599
I3	2.1273	3.5940		2.6599	2.6599
H4	1.0786	2.6599	2.6599		1.7804
H5	1.0786	2.6599	2.6599	1.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	115.291	I2	C1	H4	107.588
I2	C1	H5	107.588	I3	C1	H4	107.588
I3	C1	H5	107.588	H4	C1	H5	111.246

All results from a given calculation for CH₂I₂ (Diiodomethane)

using model chemistry: MP3/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: MP3/cc-pVTZ-PP

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)