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	hartrees
Energy at 0K	-997.320154
Energy at 298.15K	-997.322116
Nuclear repulsion energy	188.076807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3109	3091	3.27
2	A₁	1623	1613	86.40
3	A₁	1326	1318	0.02
4	A₁	590	586	17.33
5	A₁	294	292	0.02
6	A₂	660	656	0.00
7	B₁	819	814	39.36
8	B₁	458	455	4.50
9	B₂	3220	3201	0.23
10	B₂	1046	1040	106.59
11	B₂	750	746	100.55
12	B₂	366	364	0.21

Atom	y (Å)	z (Å)
C1	0.000	1.766
C2	0.000	0.424
H3	0.949	2.317
H4	-0.949	2.317
Cl5	1.466	-0.523
Cl6	-1.466	-0.523

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3416	1.0974	1.0974	2.7178	2.7178
C2	1.3416		2.1172	2.1172	1.7451	1.7451
H3	1.0974	2.1172		1.8980	2.8865	3.7276
H4	1.0974	2.1172	1.8980		3.7276	2.8865
Cl5	2.7178	1.7451	2.8865	3.7276		2.9313
Cl6	2.7178	1.7451	3.7276	2.8865	2.9313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.874	C1	C2	Cl6	122.874
C2	C1	H3	120.143	C2	C1	H4	120.143
H3	C1	H4	119.714	Cl5	C2	Cl6	114.252

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

using model chemistry: PBEPBE/cc-pVDZ

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	0.120
2	C	-0.229
3	H	0.051
4	H	0.051
5	Cl	0.003
6	Cl	0.003

	x	y	z	Total
	0.000	0.000	1.197	1.197
CHELPG
AIM
ESP

<r²>	137.027
(<r²>)^1/2	11.706

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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