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	hartrees
Energy at 0K	-29.168669
Energy at 298.15K
HF Energy	-29.034154
Nuclear repulsion energy	29.998474

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	3128	3022	14.34	126.00	0.09	0.17
2	A₁	1410	1362	0.89	34.68	0.61	0.75
3	A₁	467	451	0.16	21.17	0.22	0.36
4	A₁	120	116	0.01	9.82	0.58	0.73
5	A₂	1088	1052	0.00	28.77	0.75	0.86
6	B₁	3230	3121	2.07	76.61	0.75	0.86
7	B₁	763	738	21.03	11.85	0.75	0.86
8	B₂	1227	1185	105.22	1.04	0.75	0.86
9	B₂	574	555	45.59	13.56	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.066
I2	0.000	1.864	-0.092
I3	0.000	-1.864	-0.092
H4	-0.910	0.000	1.690
H5	0.910	0.000	1.690

	C1	I2	I3	H4	H5
C1		2.1950	2.1950	1.1034	1.1034
I2	2.1950		3.7288	2.7353	2.7353
I3	2.1950	3.7288		2.7353	2.7353
H4	1.1034	2.7353	2.7353		1.8199
H5	1.1034	2.7353	2.7353	1.8199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	116.288	I2	C1	H4	107.369
I2	C1	H5	107.369	I3	C1	H4	107.369
I3	C1	H5	107.369	H4	C1	H5	111.109

All results from a given calculation for CH₂I₂ (Diiodomethane)

using model chemistry: MP2/CEP-31G

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-31G

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)