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	hartrees
Energy at 0K	-997.828874
Energy at 298.15K	-997.830952
Nuclear repulsion energy	190.007916

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3206	3067	2.62
2	A₁	1690	1616	85.94
3	A₁	1402	1341	0.04
4	A₁	616	589	17.22
5	A₁	305	292	0.02
6	A₂	690	660	0.00
7	B₁	891	852	57.60
8	B₁	482	461	6.95
9	B₂	3309	3166	0.09
10	B₂	1099	1051	121.99
11	B₂	797	762	95.80
12	B₂	378	362	0.28

Atom	y (Å)	z (Å)
C1	0.000	1.747
C2	0.000	0.419
H3	0.934	2.294
H4	-0.934	2.294
Cl5	1.452	-0.517
Cl6	-1.452	-0.517

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3276	1.0819	1.0819	2.6896	2.6896
C2	1.3276		2.0940	2.0940	1.7276	1.7276
H3	1.0819	2.0940		1.8670	2.8584	3.6866
H4	1.0819	2.0940	1.8670		3.6866	2.8584
Cl5	2.6896	1.7276	2.8584	3.6866		2.9034
Cl6	2.6896	1.7276	3.6866	2.8584	2.9034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.829	C1	C2	Cl6	122.829
C2	C1	H3	120.361	C2	C1	H4	120.361
H3	C1	H4	119.278	Cl5	C2	Cl6	114.341

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

using model chemistry: B1B95/6-31+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	-0.604
2	C	0.006
3	H	0.180
4	H	0.180
5	Cl	0.119
6	Cl	0.119

	x	y	z	Total
	0.000	0.000	1.461	1.461
CHELPG
AIM
ESP

<r²>	135.034
(<r²>)^1/2	11.620

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

using model chemistry: B1B95/6-31+G**

States and conformations

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