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	hartrees
Energy at 0K	-13877.245524
Energy at 298.15K
HF Energy	-13876.779306
Nuclear repulsion energy	608.510965

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	3164	3164	0.57	79.29	0.09	0.16
2	A₁	1449	1449	0.05	20.08	0.52	0.69
3	A₁	483	483	0.34	19.30	0.11	0.19
4	A₁	118	118	0.02	6.17	0.41	0.59
5	A₂	1097	1097	0.00	3.63	0.75	0.86
6	B₁	3251	3251	2.45	49.30	0.75	0.86
7	B₁	740	740	10.98	1.49	0.75	0.86
8	B₂	1186	1186	119.71	0.36	0.75	0.86
9	B₂	573	573	53.82	9.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.053
I2	0.000	1.835	-0.091
I3	0.000	-1.835	-0.091
H4	-0.894	0.000	1.663
H5	0.894	0.000	1.663

	C1	I2	I3	H4	H5
C1		2.1623	2.1623	1.0821	1.0821
I2	2.1623		3.6701	2.6912	2.6912
I3	2.1623	3.6701		2.6912	2.6912
H4	1.0821	2.6912	2.6912		1.7874
H5	1.0821	2.6912	2.6912	1.7874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	116.128	I2	C1	H4	107.354
I2	C1	H5	107.354	I3	C1	H4	107.354
I3	C1	H5	107.354	H4	C1	H5	111.352

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)