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	hartrees
Energy at 0K	-997.859403
Energy at 298.15K	-997.861393
HF Energy	-997.859403
Nuclear repulsion energy	189.102825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3119	3075	0.84
2	A₁	1615	1592	84.72
3	A₁	1372	1353	0.35
4	A₁	582	574	16.35
5	A₁	293	289	0.00
6	A₂	674	664	0.00
7	B₁	848	836	45.41
8	B₁	465	459	4.70
9	B₂	3216	3171	0.10
10	B₂	1067	1052	88.04
11	B₂	731	721	121.19
12	B₂	373	367	0.18

Atom	y (Å)	z (Å)
C1	0.000	1.753
C2	0.000	0.423
H3	0.936	2.299
H4	-0.936	2.299
Cl5	1.460	-0.519
Cl6	-1.460	-0.519

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3300	1.0833	1.0833	2.7012	2.7012
C2	1.3300		2.0960	2.0960	1.7378	1.7378
H3	1.0833	2.0960		1.8721	2.8664	3.6989
H4	1.0833	2.0960	1.8721		3.6989	2.8664
Cl5	2.7012	1.7378	2.8664	3.6989		2.9197
Cl6	2.7012	1.7378	3.6989	2.8664	2.9197

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.783	C1	C2	Cl6	121.783
C2	C1	H3	119.553	C2	C1	H4	119.553
H3	C1	H4	120.893	Cl5	C2	Cl6	116.435

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

using model chemistry: B97D3/cc-pVTZ

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	-0.208
2	C	0.056
3	H	0.132
4	H	0.132
5	Cl	-0.056
6	Cl	-0.056

	x	y	z	Total
	0.000	0.000	1.257	1.257
CHELPG
AIM
ESP

<r²>	135.928
(<r²>)^1/2	11.659

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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