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	hartrees
Energy at 0K	-13872.654163
Energy at 298.15K
HF Energy	-13872.654163
Nuclear repulsion energy	612.572564

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	3315	2998	2.76	80.58	0.11	0.20
2	A₁	1561	1411	0.45	24.23	0.48	0.65
3	A₁	516	466	1.08	39.04	0.14	0.24
4	A₁	129	116	0.04	5.81	0.41	0.58
5	A₂	1189	1075	0.00	3.71	0.75	0.86
6	B₁	3402	3077	1.88	53.44	0.75	0.86
7	B₁	792	716	9.67	1.51	0.75	0.86
8	B₂	1284	1162	166.54	5.56	0.75	0.86
9	B₂	634	574	49.79	23.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.048
I2	0.000	1.823	-0.091
I3	0.000	-1.823	-0.091
H4	-0.883	0.000	1.656
H5	0.883	0.000	1.656

	C1	I2	I3	H4	H5
C1		2.1489	2.1489	1.0725	1.0725
I2	2.1489		3.6452	2.6746	2.6746
I3	2.1489	3.6452		2.6746	2.6746
H4	1.0725	2.6746	2.6746		1.7664
H5	1.0725	2.6746	2.6746	1.7664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	116.020	I2	C1	H4	107.491
I2	C1	H5	107.491	I3	C1	H4	107.491
I3	C1	H5	107.491	H4	C1	H5	110.869

All results from a given calculation for CH₂I₂ (Diiodomethane)

using model chemistry: HF/6-311G*

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	-0.778
2	I	0.074
3	I	0.074
4	H	0.315
5	H	0.315

	x	y	z	Total
	0.000	0.000	1.485	1.485
CHELPG
AIM
ESP

<r²>	406.544
(<r²>)^1/2	20.163

All results from a given calculation for CH2I2 (Diiodomethane)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)