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	hartrees
Energy at 0K	-997.672693
Energy at 298.15K	-997.674766
HF Energy	-997.672693
Nuclear repulsion energy	189.794941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3213	3043	5.37
2	A₁	1722	1631	63.15
3	A₁	1425	1350	0.01
4	A₁	624	591	16.41
5	A₁	300	285	0.05
6	A₂	707	669	0.00
7	B₁	922	873	53.39
8	B₁	467	443	3.61
9	B₂	3311	3136	0.55
10	B₂	1112	1053	108.20
11	B₂	801	758	91.73
12	B₂	382	362	0.48

Atom	y (Å)	z (Å)
C1	0.000	1.745
C2	0.000	0.420
H3	0.935	2.291
H4	-0.935	2.291
Cl5	1.455	-0.517
Cl6	-1.455	-0.517

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3247	1.0831	1.0831	2.6895	2.6895
C2	1.3247		2.0918	2.0918	1.7309	1.7309
H3	1.0831	2.0918		1.8702	2.8560	3.6878
H4	1.0831	2.0918	1.8702		3.6878	2.8560
Cl5	2.6895	1.7309	2.8560	3.6878		2.9105
Cl6	2.6895	1.7309	3.6878	2.8560	2.9105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.780	C1	C2	Cl6	122.780
C2	C1	H3	120.303	C2	C1	H4	120.303
H3	C1	H4	119.394	Cl5	C2	Cl6	114.440

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

using model chemistry: M06-2X/6-31G*

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	-0.330
2	C	-0.188
3	H	0.207
4	H	0.207
5	Cl	0.052
6	Cl	0.052

	x	y	z	Total
	0.000	0.000	1.559	1.559
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: M06-2X/6-31G*

States and conformations

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