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	hartrees
Energy at 0K	-995.893125
Energy at 298.15K	-995.895415
Nuclear repulsion energy	190.415769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3320	3016	0.87
2	A₁	1826	1659	66.58
3	A₁	1522	1383	0.08
4	A₁	646	586	19.06
5	A₁	324	295	0.00
6	A₂	773	702	0.00
7	B₁	1053	957	52.69
8	B₁	515	468	8.06
9	B₂	3417	3104	0.02
10	B₂	1203	1093	113.50
11	B₂	864	785	90.85
12	B₂	409	372	0.24

Atom	y (Å)	z (Å)
C1	0.000	1.733
C2	0.000	0.424
H3	0.925	2.277
H4	-0.925	2.277
Cl5	1.453	-0.515
Cl6	-1.453	-0.515

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3089	1.0729	1.0729	2.6765	2.6765
C2	1.3089		2.0707	2.0707	1.7301	1.7301
H3	1.0729	2.0707		1.8497	2.8410	3.6670
H4	1.0729	2.0707	1.8497		3.6670	2.8410
Cl5	2.6765	1.7301	2.8410	3.6670		2.9064
Cl6	2.6765	1.7301	3.6670	2.8410	2.9064

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.863	C1	C2	Cl6	122.863
C2	C1	H3	120.455	C2	C1	H4	120.455
H3	C1	H4	119.091	Cl5	C2	Cl6	114.274

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

using model chemistry: HF/6-311G**

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	-0.079
2	C	-0.193
3	H	0.153
4	H	0.153
5	Cl	-0.017
6	Cl	-0.017

	x	y	z	Total
	0.000	0.000	1.849	1.849
CHELPG
AIM
ESP

<r²>	135.057
(<r²>)^1/2	11.621

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

using model chemistry: HF/6-311G**

States and conformations

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