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	hartrees
Energy at 0K	-633.289758
Energy at 298.15K
HF Energy	-632.356216
Nuclear repulsion energy	194.721518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3277	3277	0.11
2	A₁	1502	1502	0.09
3	A₁	535	535	0.17
4	A₁	128	128	0.01
5	A₂	1139	1139	0.00
6	B₁	3363	3363	4.54
7	B₁	771	771	7.29
8	B₂	1226	1226	102.71
9	B₂	669	669	26.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.035
I2	0.000	1.779	-0.090
I3	0.000	-1.779	-0.090
H4	-0.882	0.000	1.643
H5	0.882	0.000	1.643

	C1	I2	I3	H4	H5
C1		2.1045	2.1045	1.0713	1.0713
I2	2.1045		3.5572	2.6349	2.6349
I3	2.1045	3.5572		2.6349	2.6349
H4	1.0713	2.6349	2.6349		1.7649
H5	1.0713	2.6349	2.6349	1.7649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	115.377	I2	C1	H4	107.641
I2	C1	H5	107.641	I3	C1	H4	107.641
I3	C1	H5	107.641	H4	C1	H5	110.923

All results from a given calculation for CH₂I₂ (Diiodomethane)

using model chemistry: CID/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: CID/Def2TZVPP

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)