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	hartrees
Energy at 0K	-992.803209
Energy at 298.15K	-992.805183
Nuclear repulsion energy	184.555524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3197	3073	6.30
2	A₁	1709	1643	73.10
3	A₁	1460	1404	0.33
4	A₁	550	528	17.93
5	A₁	272	261	0.33
6	A₂	710	682	0.00
7	B₁	970	932	73.93
8	B₁	452	435	7.75
9	B₂	3291	3163	1.37
10	B₂	1128	1085	111.51
11	B₂	723	695	112.39
12	B₂	372	358	0.14

Atom	y (Å)	z (Å)
C1	0.000	1.774
C2	0.000	0.457
H3	0.933	2.326
H4	-0.933	2.326
Cl5	1.506	-0.531
Cl6	-1.506	-0.531

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3173	1.0836	1.0836	2.7532	2.7532
C2	1.3173		2.0888	2.0888	1.8007	1.8007
H3	1.0836	2.0888		1.8652	2.9137	3.7559
H4	1.0836	2.0888	1.8652		3.7559	2.9137
Cl5	2.7532	1.8007	2.9137	3.7559		3.0113
Cl6	2.7532	1.8007	3.7559	2.9137	3.0113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	123.265	C1	C2	Cl6	123.265
C2	C1	H3	120.612	C2	C1	H4	120.612
H3	C1	H4	118.776	Cl5	C2	Cl6	113.471

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

using model chemistry: B3PW91/3-21G

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	-0.350
2	C	-0.512
3	H	0.266
4	H	0.266
5	Cl	0.165
6	Cl	0.165

	x	y	z	Total
	0.000	0.000	2.079	2.079
CHELPG
AIM
ESP

<r²>	142.172
(<r²>)^1/2	11.924

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

using model chemistry: B3PW91/3-21G

States and conformations

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