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	hartrees
Energy at 0K	-13814.666910
Energy at 298.15K
HF Energy	-13814.487533
Nuclear repulsion energy	597.814435

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	3185	3041	1.92	86.40	0.11	0.20
2	A₁	1517	1449	0.05	26.47	0.70	0.82
3	A₁	474	453	0.34	13.74	0.19	0.32
4	A₁	120	114	0.00	7.04	0.52	0.69
5	A₂	1130	1079	0.00	19.33	0.75	0.86
6	B₁	3265	3117	0.26	60.58	0.75	0.86
7	B₁	755	721	12.40	5.16	0.75	0.86
8	B₂	1225	1170	96.49	0.00	0.75	0.86
9	B₂	605	578	33.95	15.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.068
I2	0.000	1.869	-0.092
I3	0.000	-1.869	-0.092
H4	-0.895	0.000	1.684
H5	0.895	0.000	1.684

	C1	I2	I3	H4	H5
C1		2.2003	2.2003	1.0863	1.0863
I2	2.2003		3.7385	2.7296	2.7296
I3	2.2003	3.7385		2.7296	2.7296
H4	1.0863	2.7296	2.7296		1.7896
H5	1.0863	2.7296	2.7296	1.7896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	116.325	I2	C1	H4	107.403
I2	C1	H5	107.403	I3	C1	H4	107.403
I3	C1	H5	107.403	H4	C1	H5	110.919

All results from a given calculation for CH₂I₂ (Diiodomethane)

using model chemistry: MP2=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: MP2=FULL/3-21G

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)