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	hartrees
Energy at 0K	-29.039335
Energy at 298.15K
HF Energy	-29.039335
Nuclear repulsion energy	30.536089

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	3282	2994	10.18	117.83	0.09	0.16
2	A₁	1543	1408	0.98	41.97	0.47	0.64
3	A₁	503	459	0.64	55.95	0.16	0.27
4	A₁	129	118	0.00	11.64	0.53	0.70
5	A₂	1190	1086	0.00	29.09	0.75	0.86
6	B₁	3391	3095	0.13	71.02	0.75	0.86
7	B₁	810	739	20.06	8.48	0.75	0.86
8	B₂	1294	1181	176.09	2.41	0.75	0.86
9	B₂	619	565	70.59	40.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.052
I2	0.000	1.834	-0.091
I3	0.000	-1.834	-0.091
H4	-0.888	0.000	1.659
H5	0.888	0.000	1.659

	C1	I2	I3	H4	H5
C1		2.1608	2.1608	1.0754	1.0754
I2	2.1608		3.6676	2.6856	2.6856
I3	2.1608	3.6676		2.6856	2.6856
H4	1.0754	2.6856	2.6856		1.7760
H5	1.0754	2.6856	2.6856	1.7760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	116.132	I2	C1	H4	107.360
I2	C1	H5	107.360	I3	C1	H4	107.360
I3	C1	H5	107.360	H4	C1	H5	111.323

All results from a given calculation for CH₂I₂ (Diiodomethane)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.929
2	I	0.211
3	I	0.211
4	H	0.254
5	H	0.254

	x	y	z	Total
	0.000	0.000	1.524	1.524
CHELPG
AIM
ESP

<r²>	88.351
(<r²>)^1/2	9.400

All results from a given calculation for CH2I2 (Diiodomethane)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)