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	hartrees
Energy at 0K	-992.427514
Energy at 298.15K	-992.429381
Nuclear repulsion energy	183.294055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3121	3093	6.63
2	A₁	1650	1635	81.43
3	A₁	1415	1402	0.17
4	A₁	533	528	18.06
5	A₁	264	261	0.28
6	A₂	679	673	0.00
7	B₁	898	890	71.65
8	B₁	431	427	6.80
9	B₂	3214	3184	0.86
10	B₂	1084	1074	112.47
11	B₂	690	684	124.34
12	B₂	359	356	0.08

Atom	y (Å)	z (Å)
C1	0.000	1.788
C2	0.000	0.461
H3	0.940	2.344
H4	-0.940	2.344
Cl5	1.515	-0.535
Cl6	-1.515	-0.535

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3273	1.0915	1.0915	2.7736	2.7736
C2	1.3273		2.1040	2.1040	1.8130	1.8130
H3	1.0915	2.1040		1.8794	2.9355	3.7831
H4	1.0915	2.1040	1.8794		3.7831	2.9355
Cl5	2.7736	1.8130	2.9355	3.7831		3.0299
Cl6	2.7736	1.8130	3.7831	2.9355	3.0299

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	123.324	C1	C2	Cl6	123.324
C2	C1	H3	120.581	C2	C1	H4	120.581
H3	C1	H4	118.838	Cl5	C2	Cl6	113.352

All results from a given calculation for CH₂CCl₂ (Ethene, 1,1-dichloro-)

using model chemistry: PBEPBE/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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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	-0.332
2	C	-0.495
3	H	0.251
4	H	0.251
5	Cl	0.162
6	Cl	0.162

	x	y	z	Total
	0.000	0.000	1.949	1.949
CHELPG
AIM
ESP

<r²>	143.779
(<r²>)^1/2	11.991

All results from a given calculation for CH2CCl2 (Ethene, 1,1-dichloro-)

using model chemistry: PBEPBE/3-21G

States and conformations

All results from a given calculation for CH₂CCl₂ (Ethene, 1,1-dichloro-)