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	hartrees
Energy at 0K	-13740.026954
Energy at 298.15K
HF Energy	-13739.945633
Nuclear repulsion energy	607.446748

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	3389	3012	0.52	37.26	0.13	0.22
2	A₁	1675	1489	0.76	17.61	0.72	0.84
3	A₁	560	498	5.00	12.28	0.14	0.25
4	A₁	139	124	0.34	4.18	0.53	0.70
5	A₂	1271	1130	0.00	16.05	0.75	0.86
6	B₁	3507	3117	0.37	31.33	0.75	0.86
7	B₁	823	732	0.05	2.30	0.75	0.86
8	B₂	1343	1194	97.60	1.04	0.75	0.86
9	B₂	745	662	38.82	11.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.022
I2	0.000	1.842	-0.089
I3	0.000	-1.842	-0.089
H4	-0.893	0.000	1.676
H5	0.893	0.000	1.676

	C1	I2	I3	H4	H5
C1		2.1512	2.1512	1.1067	1.1067
I2	2.1512		3.6843	2.7031	2.7031
I3	2.1512	3.6843		2.7031	2.7031
H4	1.1067	2.7031	2.7031		1.7852
H5	1.1067	2.7031	2.7031	1.7852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	I3	117.809	I2	C1	H4	107.779
I2	C1	H5	107.779	I3	C1	H4	107.779
I3	C1	H5	107.779	H4	C1	H5	107.513

All results from a given calculation for CH₂I₂ (Diiodomethane)

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

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/STO-3G

States and conformations

All results from a given calculation for CH₂I₂ (Diiodomethane)