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	hartrees
Energy at 0K	-29.180423
Energy at 298.15K
HF Energy	-29.038317
Nuclear repulsion energy	30.094090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3072	2998	10.83	106.33	0.10	0.17
2	A₁	1417	1383	0.96	29.89	0.59	0.74
3	A₁	471	459	0.01	20.52	0.22	0.36
4	A₁	121	118	0.01	9.87	0.56	0.72
5	A₂	1105	1078	0.00	28.49	0.75	0.86
6	B₁	3175	3099	1.72	63.71	0.75	0.86
7	B₁	757	739	21.17	8.28	0.75	0.86
8	B₂	1227	1198	106.12	1.06	0.75	0.86
9	B₂	578	564	44.47	14.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.064
I2	0.000	1.860	-0.092
I3	0.000	-1.860	-0.092
H4	-0.904	0.000	1.683
H5	0.904	0.000	1.683

	C1	I2	I3	H4	H5
C1		2.1904	2.1904	1.0949	1.0949
I2	2.1904		3.7208	2.7252	2.7252
I3	2.1904	3.7208		2.7252	2.7252
H4	1.0949	2.7252	2.7252		1.8071
H5	1.0949	2.7252	2.7252	1.8071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	116.278	I2	C1	H4	107.345
I2	C1	H5	107.345	I3	C1	H4	107.345
I3	C1	H5	107.345	H4	C1	H5	111.227

All results from a given calculation for CH₂I₂ (Diiodomethane)

using model chemistry: MP2/CEP-121G

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: MP2/CEP-121G

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)