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	hartrees
Energy at 0K	-997.873937
Energy at 298.15K	-997.876007
Nuclear repulsion energy	189.880225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3166	3061	2.08
2	A₁	1660	1605	79.29
3	A₁	1408	1362	0.02
4	A₁	600	580	14.30
5	A₁	301	291	0.00
6	A₂	694	671	0.00
7	B₁	905	875	45.33
8	B₁	478	463	5.92
9	B₂	3258	3150	0.14
10	B₂	1096	1060	84.32
11	B₂	769	743	100.10
12	B₂	381	368	0.27

Atom	y (Å)	z (Å)
C1	0.000	1.745
C2	0.000	0.423
H3	0.929	2.294
H4	-0.929	2.294
Cl5	1.454	-0.517
Cl6	-1.454	-0.517

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3222	1.0791	1.0791	2.6891	2.6891
C2	1.3222		2.0891	2.0891	1.7313	1.7313
H3	1.0791	2.0891		1.8579	2.8598	3.6852
H4	1.0791	2.0891	1.8579		3.6852	2.8598
Cl5	2.6891	1.7313	2.8598	3.6852		2.9079
Cl6	2.6891	1.7313	3.6852	2.8598	2.9079

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.882	C1	C2	Cl6	122.882
C2	C1	H3	120.584	C2	C1	H4	120.584
H3	C1	H4	118.832	Cl5	C2	Cl6	114.235

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

using model chemistry: B3LYP/6-311+G(3df,2p)

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	-0.402
2	C	0.392
3	H	0.172
4	H	0.172
5	Cl	-0.166
6	Cl	-0.166

	x	y	z	Total
	0.000	0.000	1.352	1.352
CHELPG
AIM
ESP

<r²>	135.378
(<r²>)^1/2	11.635

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

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

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