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	hartrees
Energy at 0K	-997.716385
Energy at 298.15K	-997.718320
Nuclear repulsion energy	187.513313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3105	3088	1.72
2	A₁	1606	1597	67.61
3	A₁	1369	1361	0.18
4	A₁	571	567	15.72
5	A₁	286	284	0.03
6	A₂	669	665	0.00
7	B₁	849	844	39.17
8	B₁	455	452	1.89
9	B₂	3199	3181	0.00
10	B₂	1055	1049	85.84
11	B₂	722	718	116.02
12	B₂	364	362	0.31

Atom	y (Å)	z (Å)
C1	0.000	1.766
C2	0.000	0.430
H3	0.937	2.320
H4	-0.937	2.320
Cl5	1.473	-0.524
Cl6	-1.473	-0.524

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3366	1.0886	1.0886	2.7228	2.7228
C2	1.3366		2.1100	2.1100	1.7546	1.7546
H3	1.0886	2.1100		1.8743	2.8940	3.7278
H4	1.0886	2.1100	1.8743		3.7278	2.8940
Cl5	2.7228	1.7546	2.8940	3.7278		2.9457
Cl6	2.7228	1.7546	3.7278	2.8940	2.9457

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.920	C1	C2	Cl6	122.920
C2	C1	H3	120.582	C2	C1	H4	120.582
H3	C1	H4	118.835	Cl5	C2	Cl6	114.159

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.309
2	C	0.259
3	H	0.135
4	H	0.135
5	Cl	-0.110
6	Cl	-0.110

	x	y	z	Total
	0.000	0.000	1.349	1.349
CHELPG
AIM
ESP

<r²>	137.834
(<r²>)^1/2	11.740

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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