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	hartrees
Energy at 0K	-42.175216
Energy at 298.15K	-42.177155
Nuclear repulsion energy	52.503811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3204	3068	1.04
2	A₁	1687	1616	81.70
3	A₁	1401	1341	0.36
4	A₁	566	542	15.88
5	A₁	281	269	0.08
6	A₂	675	646	0.00
7	B₁	931	892	92.04
8	B₁	449	430	13.07
9	B₂	3305	3164	1.62
10	B₂	1072	1027	142.21
11	B₂	754	722	83.32
12	B₂	352	337	0.26

Atom	y (Å)	z (Å)
C1	0.000	1.803
C2	0.000	0.443
H3	0.942	2.355
H4	-0.942	2.355
Cl5	1.512	-0.535
Cl6	-1.512	-0.535

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3602	1.0914	1.0914	2.7850	2.7850
C2	1.3602		2.1314	2.1314	1.8012	1.8012
H3	1.0914	2.1314		1.8832	2.9463	3.7917
H4	1.0914	2.1314	1.8832		3.7917	2.9463
Cl5	2.7850	1.8012	2.9463	3.7917		3.0249
Cl6	2.7850	1.8012	3.7917	2.9463	3.0249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.895	C1	C2	Cl6	122.895
C2	C1	H3	120.378	C2	C1	H4	120.378
H3	C1	H4	119.244	Cl5	C2	Cl6	114.209

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

using model chemistry: B1B95/CEP-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	-0.260
2	C	-0.345
3	H	0.226
4	H	0.226
5	Cl	0.077
6	Cl	0.077

	x	y	z	Total
	0.000	0.000	1.948	1.948
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G

States and conformations

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