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	hartrees
Energy at 0K	-634.557402
Energy at 298.15K
HF Energy	-634.557402
Nuclear repulsion energy	193.288313

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	3168	3168	0.00	100.09	0.05	0.09
2	A₁	1427	1427	0.34	17.54	0.51	0.67
3	A₁	511	511	0.17	23.77	0.10	0.17
4	A₁	122	122	0.01	4.65	0.39	0.56
5	A₂	1080	1080	0.00	1.24	0.75	0.86
6	B₁	3256	3256	6.21	44.87	0.75	0.86
7	B₁	738	738	7.88	0.97	0.75	0.86
8	B₂	1155	1155	105.61	2.01	0.75	0.86
9	B₂	618	618	40.58	10.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.052
I2	0.000	1.789	-0.091
I3	0.000	-1.789	-0.091
H4	-0.894	0.000	1.658
H5	0.894	0.000	1.658

	C1	I2	I3	H4	H5
C1		2.1230	2.1230	1.0805	1.0805
I2	2.1230		3.5785	2.6572	2.6572
I3	2.1230	3.5785		2.6572	2.6572
H4	1.0805	2.6572	2.6572		1.7884
H5	1.0805	2.6572	2.6572	1.7884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	114.877	I2	C1	H4	107.585
I2	C1	H5	107.585	I3	C1	H4	107.585
I3	C1	H5	107.585	H4	C1	H5	111.702

All results from a given calculation for CH₂I₂ (Diiodomethane)

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	-0.382
2	I	-0.041
3	I	-0.041
4	H	0.232
5	H	0.232

	x	y	z	Total
	0.000	0.000	1.163	1.163
CHELPG
AIM
ESP

<r²>	211.421
(<r²>)^1/2	14.540

All results from a given calculation for CH2I2 (Diiodomethane)

using model chemistry: M06-2X/Def2TZVPP

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)