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	hartrees
Energy at 0K	-106.224523
Energy at 298.15K	-106.226682
Nuclear repulsion energy	78.106495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3371	3034	0.68
2	A₁	1823	1641	72.21
3	A₁	1552	1396	0.01
4	A₁	585	527	22.90
5	A₁	303	273	0.75
6	A₂	774	697	0.00
7	B₁	1118	1006	71.72
8	B₁	481	433	7.16
9	B₂	3482	3134	0.45
10	B₂	1211	1090	118.98
11	B₂	798	718	90.71
12	B₂	396	356	0.17

Atom	y (Å)	z (Å)
C1	0.000	1.388
C2	0.000	0.069
H3	0.919	1.938
H4	-0.919	1.938
Cl5	1.496	-0.901
Cl6	-1.496	-0.901

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3183	1.0714	1.0714	2.7344	2.7344
C2	1.3183		2.0824	2.0824	1.7833	1.7833
H3	1.0714	2.0824		1.8389	2.8969	3.7275
H4	1.0714	2.0824	1.8389		3.7275	2.8969
Cl5	2.7344	1.7833	2.8969	3.7275		2.9924
Cl6	2.7344	1.7833	3.7275	2.8969	2.9924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.968	C1	C2	Cl6	122.968
C2	C1	H3	120.893	C2	C1	H4	120.893
H3	C1	H4	118.214	Cl5	C2	Cl6	114.064

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

using model chemistry: HF/LANL2DZ

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	-0.284
2	C	-0.117
3	H	0.231
4	H	0.231
5	Cl	-0.030
6	Cl	-0.030

	x	y	z	Total
	0.000	0.000	2.516	2.516
CHELPG
AIM
ESP

<r²>	86.263
(<r²>)^1/2	9.288

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

using model chemistry: HF/LANL2DZ

States and conformations

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