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	hartrees
Energy at 0K	-997.274053
Energy at 298.15K	-997.276024
Nuclear repulsion energy	188.299285

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3127	3084	2.88
2	A₁	1630	1608	77.10
3	A₁	1362	1343	0.12
4	A₁	592	584	16.86
5	A₁	297	293	0.05
6	A₂	666	656	0.00
7	B₁	828	817	50.07
8	B₁	462	456	3.63
9	B₂	3227	3183	0.02
10	B₂	1058	1043	114.97
11	B₂	754	744	106.74
12	B₂	370	365	0.16

Atom	y (Å)	z (Å)
C1	0.000	1.761
C2	0.000	0.422
H3	0.940	2.314
H4	-0.940	2.314
Cl5	1.466	-0.522
Cl6	-1.466	-0.522

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3389	1.0908	1.0908	2.7129	2.7129
C2	1.3389		2.1127	2.1127	1.7434	1.7434
H3	1.0908	2.1127		1.8804	2.8843	3.7190
H4	1.0908	2.1127	1.8804		3.7190	2.8843
Cl5	2.7129	1.7434	2.8843	3.7190		2.9313
Cl6	2.7129	1.7434	3.7190	2.8843	2.9313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.785	C1	C2	Cl6	122.785
C2	C1	H3	120.468	C2	C1	H4	120.468
H3	C1	H4	119.064	Cl5	C2	Cl6	114.431

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

using model chemistry: PBEPBE/6-31G**

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	-0.212
2	C	-0.214
3	H	0.153
4	H	0.153
5	Cl	0.060
6	Cl	0.060

	x	y	z	Total
	0.000	0.000	1.393	1.393
CHELPG
AIM
ESP

<r²>	136.815
(<r²>)^1/2	11.697

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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