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	hartrees
Energy at 0K	-13818.683637
Energy at 298.15K
HF Energy	-13818.623422
Nuclear repulsion energy	597.851283

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	3181	3028	1.53	93.95	0.10	0.17
2	A₁	1497	1425	0.08	31.76	0.66	0.79
3	A₁	471	449	0.65	18.94	0.17	0.28
4	A₁	118	113	0.01	8.87	0.50	0.67
5	A₂	1116	1062	0.00	18.06	0.75	0.86
6	B₁	3266	3109	0.52	62.06	0.75	0.86
7	B₁	748	712	13.09	5.24	0.75	0.86
8	B₂	1207	1149	116.23	0.10	0.75	0.86
9	B₂	585	557	59.46	16.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.067
I2	0.000	1.870	-0.092
I3	0.000	-1.870	-0.092
H4	-0.895	0.000	1.679
H5	0.895	0.000	1.679

	C1	I2	I3	H4	H5
C1		2.1998	2.1998	1.0841	1.0841
I2	2.1998		3.7390	2.7261	2.7261
I3	2.1998	3.7390		2.7261	2.7261
H4	1.0841	2.7261	2.7261		1.7906
H5	1.0841	2.7261	2.7261	1.7906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	116.393	I2	C1	H4	107.287
I2	C1	H5	107.287	I3	C1	H4	107.287
I3	C1	H5	107.287	H4	C1	H5	111.353

All results from a given calculation for CH₂I₂ (Diiodomethane)

using model chemistry: B2PLYP=FULL/3-21G

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/3-21G

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)