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	hartrees
Energy at 0K	-986.658064
Energy at 298.15K	-986.659741
Nuclear repulsion energy	181.649697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3298	3051	56.25
2	A₁	1701	1574	41.16
3	A₁	1453	1344	1.04
4	A₁	588	544	15.26
5	A₁	268	248	1.57
6	A₂	697	645	0.00
7	B₁	876	811	29.68
8	B₁	420	389	0.10
9	B₂	3451	3193	9.96
10	B₂	1143	1057	108.22
11	B₂	811	750	55.66
12	B₂	347	321	0.16

Atom	y (Å)	z (Å)
C1	0.000	1.801
C2	0.000	0.447
H3	0.949	2.367
H4	-0.949	2.367
Cl5	1.533	-0.536
Cl6	-1.533	-0.536

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3542	1.1048	1.1048	2.7948	2.7948
C2	1.3542		2.1415	2.1415	1.8208	1.8208
H3	1.1048	2.1415		1.8981	2.9606	3.8189
H4	1.1048	2.1415	1.8981		3.8189	2.9606
Cl5	2.7948	1.8208	2.9606	3.8189		3.0656
Cl6	2.7948	1.8208	3.8189	2.9606	3.0656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.665	C1	C2	Cl6	122.665
C2	C1	H3	120.791	C2	C1	H4	120.791
H3	C1	H4	118.418	Cl5	C2	Cl6	114.670

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

using model chemistry: BLYP/STO-3G

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	-0.142
2	C	0.044
3	H	0.111
4	H	0.111
5	Cl	-0.062
6	Cl	-0.062

	x	y	z	Total
	0.000	0.000	1.855	1.855
CHELPG
AIM
ESP

<r²>	144.674
(<r²>)^1/2	12.028

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

using model chemistry: BLYP/STO-3G

States and conformations

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