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	hartrees
Energy at 0K	-997.745533
Energy at 298.15K	-997.747613
Nuclear repulsion energy	190.293563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3176	3054	2.27
2	A₁	1671	1607	83.76
3	A₁	1396	1342	0.01
4	A₁	610	587	15.72
5	A₁	299	288	0.02
6	A₂	696	669	0.00
7	B₁	896	862	48.34
8	B₁	482	463	5.16
9	B₂	3274	3148	0.17
10	B₂	1097	1055	98.15
11	B₂	784	754	94.66
12	B₂	376	361	0.37

Atom	y (Å)	z (Å)
C1	0.000	1.743
C2	0.000	0.421
H3	0.932	2.288
H4	-0.932	2.288
Cl5	1.450	-0.516
Cl6	-1.450	-0.516

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3219	1.0803	1.0803	2.6844	2.6844
C2	1.3219		2.0873	2.0873	1.7265	1.7265
H3	1.0803	2.0873		1.8648	2.8521	3.6799
H4	1.0803	2.0873	1.8648		3.6799	2.8521
Cl5	2.6844	1.7265	2.8521	3.6799		2.8999
Cl6	2.6844	1.7265	3.6799	2.8521	2.8999

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.877	C1	C2	Cl6	122.877
C2	C1	H3	120.336	C2	C1	H4	120.336
H3	C1	H4	119.328	Cl5	C2	Cl6	114.245

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

using model chemistry: B3PW91/cc-pVTZ

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	-0.217
2	C	0.048
3	H	0.142
4	H	0.142
5	Cl	-0.058
6	Cl	-0.058

	x	y	z	Total
	0.000	0.000	1.321	1.321
CHELPG
AIM
ESP

<r²>	134.491
(<r²>)^1/2	11.597

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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