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	hartrees
Energy at 0K	-632.356557
Energy at 298.15K
HF Energy	-632.356557
Nuclear repulsion energy	192.800533

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	3290	2982	0.90	87.45	0.08	0.14
2	A₁	1545	1400	0.43	23.66	0.45	0.62
3	A₁	526	477	0.71	36.58	0.12	0.22
4	A₁	128	116	0.02	4.72	0.37	0.54
5	A₂	1165	1056	0.00	0.83	0.75	0.86
6	B₁	3377	3061	3.51	45.89	0.75	0.86
7	B₁	789	715	7.23	0.70	0.75	0.86
8	B₂	1259	1141	137.91	8.00	0.75	0.86
9	B₂	650	589	40.67	17.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.045
I2	0.000	1.798	-0.090
I3	0.000	-1.798	-0.090
H4	-0.885	0.000	1.650
H5	0.885	0.000	1.650

	C1	I2	I3	H4	H5
C1		2.1264	2.1264	1.0717	1.0717
I2	2.1264		3.5957	2.6541	2.6541
I3	2.1264	3.5957		2.6541	2.6541
H4	1.0717	2.6541	2.6541		1.7693
H5	1.0717	2.6541	2.6541	1.7693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	115.443	I2	C1	H4	107.545
I2	C1	H5	107.545	I3	C1	H4	107.545
I3	C1	H5	107.545	H4	C1	H5	111.267

All results from a given calculation for CH₂I₂ (Diiodomethane)

using model chemistry: HF/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	-0.280
2	I	-0.023
3	I	-0.023
4	H	0.163
5	H	0.163

	x	y	z	Total
	0.000	0.000	1.352	1.352
CHELPG
AIM
ESP

<r²>	213.332
(<r²>)^1/2	14.606

All results from a given calculation for CH2I2 (Diiodomethane)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)