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	hartrees
Energy at 0K	-997.280166
Energy at 298.15K	-997.282137
Nuclear repulsion energy	188.254763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3123	3088	2.64
2	A₁	1616	1598	91.81
3	A₁	1357	1341	0.14
4	A₁	590	584	16.43
5	A₁	297	294	0.00
6	A₂	658	651	0.00
7	B₁	828	818	59.10
8	B₁	464	458	7.31
9	B₂	3223	3187	0.06
10	B₂	1054	1042	118.45
11	B₂	751	742	113.61
12	B₂	371	367	0.14

Atom	y (Å)	z (Å)
C1	0.000	1.763
C2	0.000	0.422
H3	0.942	2.315
H4	-0.942	2.315
Cl5	1.465	-0.522
Cl6	-1.465	-0.522

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3408	1.0912	1.0912	2.7146	2.7146
C2	1.3408		2.1137	2.1137	1.7433	1.7433
H3	1.0912	2.1137		1.8831	2.8845	3.7202
H4	1.0912	2.1137	1.8831		3.7202	2.8845
Cl5	2.7146	1.7433	2.8845	3.7202		2.9310
Cl6	2.7146	1.7433	3.7202	2.8845	2.9310

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.792	C1	C2	Cl6	122.792
C2	C1	H3	120.361	C2	C1	H4	120.361
H3	C1	H4	119.278	Cl5	C2	Cl6	114.416

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

using model chemistry: PBEPBE/6-31+G**

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	-0.660
2	C	-0.004
3	H	0.183
4	H	0.183
5	Cl	0.149
6	Cl	0.149

	x	y	z	Total
	0.000	0.000	1.370	1.370
CHELPG
AIM
ESP

<r²>	137.333
(<r²>)^1/2	11.719

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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