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	hartrees
Energy at 0K	-993.176569
Energy at 298.15K	-993.178621
Nuclear repulsion energy	188.151760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3191	3069	3.49
2	A₁	1675	1611	62.58
3	A₁	1466	1410	0.01
4	A₁	580	558	15.64
5	A₁	296	285	0.05
6	A₂	709	682	0.00
7	B₁	950	914	65.10
8	B₁	472	454	6.33
9	B₂	3281	3156	0.04
10	B₂	1139	1095	89.90
11	B₂	736	708	109.02
12	B₂	389	374	0.09

Atom	y (Å)	z (Å)
C1	0.000	1.754
C2	0.000	0.429
H3	0.931	2.308
H4	-0.931	2.308
Cl5	1.471	-0.521
Cl6	-1.471	-0.521

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3258	1.0825	1.0825	2.7092	2.7092
C2	1.3258		2.0968	2.0968	1.7506	1.7506
H3	1.0825	2.0968		1.8610	2.8796	3.7103
H4	1.0825	2.0968	1.8610		3.7103	2.8796
Cl5	2.7092	1.7506	2.8796	3.7103		2.9414
Cl6	2.7092	1.7506	3.7103	2.8796	2.9414

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.846	C1	C2	Cl6	122.846
C2	C1	H3	120.731	C2	C1	H4	120.731
H3	C1	H4	118.539	Cl5	C2	Cl6	114.309

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

using model chemistry: B3LYP/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	-0.345
2	C	-0.271
3	H	0.234
4	H	0.234
5	Cl	0.074
6	Cl	0.074

	x	y	z	Total
	0.000	0.000	1.620	1.620
CHELPG
AIM
ESP

<r²>	137.300
(<r²>)^1/2	11.718

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

using model chemistry: B3LYP/3-21G*

States and conformations

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