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	hartrees
Energy at 0K	-997.580035
Energy at 298.15K	-997.582052
Nuclear repulsion energy	184.868297

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3211	3075	4.09
2	A₁	1708	1635	75.18
3	A₁	1443	1382	0.19
4	A₁	567	543	18.39
5	A₁	287	275	0.27
6	A₂	700	671	0.00
7	B₁	961	920	71.10
8	B₁	471	451	6.74
9	B₂	3314	3174	0.06
10	B₂	1113	1066	114.75
11	B₂	741	709	108.16
12	B₂	377	361	0.17

Atom	y (Å)	z (Å)
C1	0.000	1.777
C2	0.000	0.451
H3	0.931	2.330
H4	-0.931	2.330
Cl5	1.501	-0.530
Cl6	-1.501	-0.530

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3259	1.0834	1.0834	2.7523	2.7523
C2	1.3259		2.0973	2.0973	1.7932	1.7932
H3	1.0834	2.0973		1.8629	2.9163	3.7547
H4	1.0834	2.0973	1.8629		3.7547	2.9163
Cl5	2.7523	1.7932	2.9163	3.7547		3.0021
Cl6	2.7523	1.7932	3.7547	2.9163	3.0021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	123.169	C1	C2	Cl6	123.169
C2	C1	H3	120.708	C2	C1	H4	120.708
H3	C1	H4	118.583	Cl5	C2	Cl6	113.663

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

using model chemistry: B3PW91/6-31G

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	-0.258
2	C	-0.438
3	H	0.209
4	H	0.209
5	Cl	0.139
6	Cl	0.139

	x	y	z	Total
	0.000	0.000	2.002	2.002
CHELPG
AIM
ESP

<r²>	141.562
(<r²>)^1/2	11.898

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

using model chemistry: B3PW91/6-31G

States and conformations

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