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	hartrees
Energy at 0K	-634.421075
Energy at 298.15K
HF Energy	-633.994647
Nuclear repulsion energy	192.167632

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	3153	3153	0.07	91.88	0.05	0.10
2	A₁	1424	1424	0.28	19.50	0.50	0.67
3	A₁	496	496	0.18	18.75	0.09	0.17
4	A₁	118	118	0.01	4.83	0.38	0.55
5	A₂	1065	1065	0.00	0.89	0.75	0.86
6	B₁	3242	3242	4.25	43.60	0.75	0.86
7	B₁	729	729	7.50	0.80	0.75	0.86
8	B₂	1147	1147	101.87	1.81	0.75	0.86
9	B₂	593	593	46.79	8.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.050
I2	0.000	1.803	-0.091
I3	0.000	-1.803	-0.091
H4	-0.894	0.000	1.654
H5	0.894	0.000	1.654

	C1	I2	I3	H4	H5
C1		2.1334	2.1334	1.0792	1.0792
I2	2.1334		3.6063	2.6636	2.6636
I3	2.1334	3.6063		2.6636	2.6636
H4	1.0792	2.6636	2.6636		1.7880
H5	1.0792	2.6636	2.6636	1.7880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	115.385	I2	C1	H4	107.420
I2	C1	H5	107.420	I3	C1	H4	107.420
I3	C1	H5	107.420	H4	C1	H5	111.867

All results from a given calculation for CH₂I₂ (Diiodomethane)

using model chemistry: B2PLYP=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)