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	hartrees
Energy at 0K	-13877.252391
Energy at 298.15K
HF Energy	-13876.782488
Nuclear repulsion energy	608.828940

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	3159	3159	0.29	84.30	0.08	0.15
2	A₁	1428	1428	0.12	19.78	0.52	0.68
3	A₁	483	483	0.31	18.88	0.11	0.19
4	A₁	118	118	0.02	6.15	0.41	0.58
5	A₂	1081	1081	0.00	3.30	0.75	0.86
6	B₁	3246	3246	2.96	49.50	0.75	0.86
7	B₁	731	731	9.67	1.32	0.75	0.86
8	B₂	1171	1171	119.48	0.59	0.75	0.86
9	B₂	573	573	52.43	9.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.051
I2	0.000	1.834	-0.091
I3	0.000	-1.834	-0.091
H4	-0.895	0.000	1.660
H5	0.895	0.000	1.660

	C1	I2	I3	H4	H5
C1		2.1609	2.1609	1.0827	1.0827
I2	2.1609		3.6685	2.6892	2.6892
I3	2.1609	3.6685		2.6892	2.6892
H4	1.0827	2.6892	2.6892		1.7909
H5	1.0827	2.6892	2.6892	1.7909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	116.172	I2	C1	H4	107.285
I2	C1	H5	107.285	I3	C1	H4	107.285
I3	C1	H5	107.285	H4	C1	H5	111.604

All results from a given calculation for CH₂I₂ (Diiodomethane)

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CH2I2 (Diiodomethane)

using model chemistry: B2PLYP=FULL/6-311G**

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)