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	hartrees
Energy at 0K	-997.344518
Energy at 298.15K	-997.346489
Nuclear repulsion energy	188.524975

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3103	3071	1.09
2	A₁	1620	1603	86.79
3	A₁	1363	1349	0.10
4	A₁	588	581	16.17
5	A₁	298	295	0.03
6	A₂	662	655	0.00
7	B₁	821	813	57.49
8	B₁	462	457	8.88
9	B₂	3199	3166	0.17
10	B₂	1061	1050	116.12
11	B₂	745	737	122.71
12	B₂	372	368	0.13

Atom	y (Å)	z (Å)
C1	0.000	1.757
C2	0.000	0.424
H3	0.939	2.312
H4	-0.939	2.312
Cl5	1.464	-0.521
Cl6	-1.464	-0.521

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3339	1.0901	1.0901	2.7083	2.7083
C2	1.3339		2.1088	2.1088	1.7424	1.7424
H3	1.0901	2.1088		1.8770	2.8812	3.7146
H4	1.0901	2.1088	1.8770		3.7146	2.8812
Cl5	2.7083	1.7424	2.8812	3.7146		2.9286
Cl6	2.7083	1.7424	3.7146	2.8812	2.9286

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.820	C1	C2	Cl6	122.820
C2	C1	H3	120.579	C2	C1	H4	120.579
H3	C1	H4	118.842	Cl5	C2	Cl6	114.359

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

using model chemistry: PBEPBE/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	-0.341
2	C	-0.218
3	H	0.249
4	H	0.249
5	Cl	0.030
6	Cl	0.030

	x	y	z	Total
	0.000	0.000	1.447	1.447
CHELPG
AIM
ESP

<r²>	137.055
(<r²>)^1/2	11.707

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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