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	hartrees
Energy at 0K	-629.034808
Energy at 298.15K
HF Energy	-628.359708
Nuclear repulsion energy	193.102163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3217	3217	0.02
2	A₁	1457	1457	0.05
3	A₁	515	515	0.08
4	A₁	122	122	0.02
5	A₂	1091	1091	0.00
6	B₁	3275	3275	4.25
7	B₁	739	739	6.78
8	B₂	1172	1172	87.74
9	B₂	639	639	22.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.045
I2	0.000	1.794	-0.090
I3	0.000	-1.794	-0.090
H4	-0.886	0.000	1.652
H5	0.886	0.000	1.652

	C1	I2	I3	H4	H5
C1		2.1233	2.1233	1.0739	1.0739
I2	2.1233		3.5880	2.6530	2.6530
I3	2.1233	3.5880		2.6530	2.6530
H4	1.0739	2.6530	2.6530		1.7729
H5	1.0739	2.6530	2.6530	1.7729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	115.322	I2	C1	H4	107.573
I2	C1	H5	107.573	I3	C1	H4	107.573
I3	C1	H5	107.573	H4	C1	H5	111.276

All results from a given calculation for CH₂I₂ (Diiodomethane)

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

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)