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	hartrees
Energy at 0K	-959.374645
Energy at 298.15K	-959.370078
HF Energy	-959.696347
Nuclear repulsion energy	132.733199

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	3144	3019	8.82	93.17	0.10	0.18
2	A₁	1490	1430	0.08	13.40	0.74	0.85
3	A₁	705	677	14.85	13.71	0.11	0.21
4	A₁	284	272	0.60	7.52	0.54	0.70
5	A₂	1197	1150	0.00	13.41	0.75	0.86
6	B₁	3223	3095	0.47	61.39	0.75	0.86
7	B₁	914	878	2.11	3.84	0.75	0.86
8	B₂	1322	1269	55.03	5.59	0.75	0.86
9	B₂	729	700	160.97	5.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.768
H2	-0.899	0.000	1.380
H3	0.899	0.000	1.380
Cl4	0.000	1.496	-0.217
Cl5	0.000	-1.496	-0.217

	C1	H2	H3	Cl4	Cl5
C1		1.0876	1.0876	1.7909	1.7909
H2	1.0876		1.7980	2.3655	2.3655
H3	1.0876	1.7980		2.3655	2.3655
Cl4	1.7909	2.3655	2.3655		2.9921
Cl5	1.7909	2.3655	2.3655	2.9921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.501	H2	C1	Cl4	108.024
H2	C1	Cl5	108.024	H3	C1	Cl4	108.024
H3	C1	Cl5	108.024	Cl4	C1	Cl5	113.297

All results from a given calculation for CH₂Cl₂ (Methylene chloride)

using model chemistry: G3B3

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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	x	z	Total
	0.000	1.853	1.853
CHELPG	0.000	1.994	1.994
AIM	0.000	-0.271	0.271
ESP	-0.004	1.972	1.972

Number	Element	Mulliken
1	C	-0.445
2	H	0.242
3	H	0.242
4	Cl	-0.020
5	Cl	-0.020

<r²>	106.373
(<r²>)^1/2	10.314

All results from a given calculation for CH2Cl2 (Methylene chloride)

using model chemistry: G3B3

States and conformations

All results from a given calculation for CH₂Cl₂ (Methylene chloride)