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	hartrees
Energy at 0K	-997.707225
Energy at 298.15K	-997.709145
Nuclear repulsion energy	186.652173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3112	3088	1.53
2	A₁	1615	1602	70.30
3	A₁	1373	1362	0.96
4	A₁	566	562	17.30
5	A₁	289	287	0.04
6	A₂	667	662	0.00
7	B₁	836	829	44.13
8	B₁	449	446	2.62
9	B₂	3207	3182	0.11
10	B₂	1056	1047	98.29
11	B₂	718	713	123.42
12	B₂	368	365	0.09

Atom	y (Å)	z (Å)
C1	0.000	1.771
C2	0.000	0.431
H3	0.939	2.324
H4	-0.939	2.324
Cl5	1.482	-0.525
Cl6	-1.482	-0.525

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3395	1.0898	1.0898	2.7328	2.7328
C2	1.3395		2.1128	2.1128	1.7639	1.7639
H3	1.0898	2.1128		1.8781	2.9004	3.7388
H4	1.0898	2.1128	1.8781		3.7388	2.9004
Cl5	2.7328	1.7639	2.9004	3.7388		2.9640
Cl6	2.7328	1.7639	3.7388	2.9004	2.9640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.839	C1	C2	Cl6	122.839
C2	C1	H3	120.498	C2	C1	H4	120.498
H3	C1	H4	119.004	Cl5	C2	Cl6	114.322

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

using model chemistry: BLYP/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	-0.164
2	C	-0.153
3	H	0.125
4	H	0.125
5	Cl	0.033
6	Cl	0.033

	x	y	z	Total
	0.000	0.000	1.440	1.440
CHELPG
AIM
ESP

<r²>	138.996
(<r²>)^1/2	11.790

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

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

States and conformations

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