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	hartrees
Energy at 0K	-13744.214654
Energy at 298.15K
HF Energy	-13744.214654
Nuclear repulsion energy	598.733713

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	3243	3000	0.42	46.47	0.10	0.19
2	A₁	1573	1456	0.19	20.18	0.69	0.82
3	A₁	512	474	4.60	13.41	0.14	0.24
4	A₁	128	118	0.28	6.67	0.49	0.66
5	A₂	1183	1094	0.00	13.60	0.75	0.86
6	B₁	3365	3113	0.84	34.97	0.75	0.86
7	B₁	773	715	0.78	2.56	0.75	0.86
8	B₂	1255	1161	87.59	1.92	0.75	0.86
9	B₂	639	591	78.43	7.80	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.020
I2	0.000	1.873	-0.089
I3	0.000	-1.873	-0.089
H4	-0.899	0.000	1.670
H5	0.899	0.000	1.670

	C1	I2	I3	H4	H5
C1		2.1768	2.1768	1.1090	1.1090
I2	2.1768		3.7453	2.7219	2.7219
I3	2.1768	3.7453		2.7219	2.7219
H4	1.1090	2.7219	2.7219		1.7984
H5	1.1090	2.7219	2.7219	1.7984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	118.698	I2	C1	H4	107.360
I2	C1	H5	107.360	I3	C1	H4	107.360
I3	C1	H5	107.360	H4	C1	H5	108.355

All results from a given calculation for CH₂I₂ (Diiodomethane)

using model chemistry: BLYP/STO-3G

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	-0.296
2	I	0.042
3	I	0.042
4	H	0.106
5	H	0.106

	x	y	z	Total
	0.000	0.000	1.380	1.380
CHELPG
AIM
ESP

<r²>	423.076
(<r²>)^1/2	20.569

All results from a given calculation for CH2I2 (Diiodomethane)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)