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	hartrees
Energy at 0K	-997.709605
Energy at 298.15K	-997.711679
Nuclear repulsion energy	189.702580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3177	3058	0.99
2	A₁	1678	1616	82.77
3	A₁	1408	1355	0.08
4	A₁	608	585	16.73
5	A₁	307	296	0.03
6	A₂	693	667	0.00
7	B₁	881	848	58.78
8	B₁	479	462	9.48
9	B₂	3275	3153	0.06
10	B₂	1103	1062	118.42
11	B₂	783	754	109.82
12	B₂	383	369	0.18

Atom	y (Å)	z (Å)
C1	0.000	1.746
C2	0.000	0.421
H3	0.933	2.296
H4	-0.933	2.296
Cl5	1.456	-0.517
Cl6	-1.456	-0.517

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3242	1.0828	1.0828	2.6908	2.6908
C2	1.3242		2.0935	2.0935	1.7322	1.7322
H3	1.0828	2.0935		1.8653	2.8613	3.6902
H4	1.0828	2.0935	1.8653		3.6902	2.8613
Cl5	2.6908	1.7322	2.8613	3.6902		2.9113
Cl6	2.6908	1.7322	3.6902	2.8613	2.9113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.822	C1	C2	Cl6	122.822
C2	C1	H3	120.532	C2	C1	H4	120.532
H3	C1	H4	118.936	Cl5	C2	Cl6	114.356

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

using model chemistry: B3PW91/6-311G*

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	-0.358
2	C	-0.212
3	H	0.262
4	H	0.262
5	Cl	0.023
6	Cl	0.023

	x	y	z	Total
	0.000	0.000	1.534	1.534
CHELPG
AIM
ESP

<r²>	135.528
(<r²>)^1/2	11.642

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

using model chemistry: B3PW91/6-311G*

States and conformations

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