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	hartrees
Energy at 0K	-959.331490
Energy at 298.15K
HF Energy	-959.331490
Nuclear repulsion energy	133.408995

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	272	272	0.39	6.46	0.51	0.67
2	A₁	694	694	10.82	11.21	0.08	0.15
3	A₁	1406	1406	0.13	8.29	0.75	0.86
4	A₁	3040	3040	7.73	106.42	0.05	0.10
5	A₂	1129	1129	0.00	4.61	0.75	0.86
6	B₁	872	872	1.79	1.44	0.75	0.86
7	B₁	3113	3113	0.03	53.78	0.75	0.86
8	B₂	706	706	153.59	2.92	0.75	0.86
9	B₂	1235	1235	33.11	1.69	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.765
H2	-0.905	0.000	1.376
H3	0.905	0.000	1.376
Cl4	0.000	1.487	-0.216
Cl5	0.000	-1.487	-0.216

	C1	H2	H3	Cl4	Cl5
C1		1.0921	1.0921	1.7809	1.7809
H2	1.0921		1.8092	2.3588	2.3588
H3	1.0921	1.8092		2.3588	2.3588
Cl4	1.7809	2.3588	2.3588		2.9735
Cl5	1.7809	2.3588	2.3588	2.9735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.855	H2	C1	Cl4	107.965
H2	C1	Cl5	107.965	H3	C1	Cl4	107.965
H3	C1	Cl5	107.965	Cl4	C1	Cl5	113.193

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

using model chemistry: PBEPBEultrafine/cc-pV(T+d)Z

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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Number	Element	Mulliken
1	C	-0.065
2	H	0.138
3	H	0.138
4	Cl	-0.105
5	Cl	-0.105

	x	y	z	Total
	0.000	0.000	1.605	1.605
CHELPG
AIM
ESP

<r²>	105.359
(<r²>)^1/2	10.264

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

using model chemistry: PBEPBEultrafine/cc-pV(T+d)Z

States and conformations

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