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	hartrees
Energy at 0K	-997.842485
Energy at 298.15K	-997.844595
Nuclear repulsion energy	190.136633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3195	3057	2.71
2	A₁	1690	1617	84.34
3	A₁	1404	1343	0.00
4	A₁	616	589	16.92
5	A₁	310	296	0.02
6	A₂	698	668	0.00
7	B₁	900	861	53.41
8	B₁	486	465	9.63
9	B₂	3296	3154	0.15
10	B₂	1100	1053	121.74
11	B₂	793	759	101.33
12	B₂	384	368	0.21

Atom	y (Å)	z (Å)
C1	0.000	1.743
C2	0.000	0.421
H3	0.933	2.289
H4	-0.933	2.289
Cl5	1.452	-0.517
Cl6	-1.452	-0.517

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3220	1.0806	1.0806	2.6857	2.6857
C2	1.3220		2.0875	2.0875	1.7282	1.7282
H3	1.0806	2.0875		1.8656	2.8526	3.6816
H4	1.0806	2.0875	1.8656		3.6816	2.8526
Cl5	2.6857	1.7282	2.8526	3.6816		2.9036
Cl6	2.6857	1.7282	3.6816	2.8526	2.9036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.854	C1	C2	Cl6	122.854
C2	C1	H3	120.318	C2	C1	H4	120.318
H3	C1	H4	119.363	Cl5	C2	Cl6	114.292

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

using model chemistry: mPW1PW91/6-311G**

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	-0.108
2	C	-0.266
3	H	0.163
4	H	0.163
5	Cl	0.024
6	Cl	0.024

	x	y	z	Total
	0.000	0.000	1.533	1.533
CHELPG
AIM
ESP

<r²>	134.977
(<r²>)^1/2	11.618

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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