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	hartrees
Energy at 0K	-997.892386
Energy at 298.15K	-997.894462
Nuclear repulsion energy	190.225630

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	3056	1.15
2	A₁	1690	1620	81.17
3	A₁	1408	1349	0.05
4	A₁	612	587	16.99
5	A₁	306	294	0.01
6	A₂	694	665	0.00
7	B₁	882	845	57.03
8	B₁	480	460	8.95
9	B₂	3287	3151	0.10
10	B₂	1105	1060	120.91
11	B₂	792	759	105.61
12	B₂	379	364	0.27

Atom	y (Å)	z (Å)
C1	0.000	1.742
C2	0.000	0.420
H3	0.931	2.290
H4	-0.931	2.290
Cl5	1.451	-0.516
Cl6	-1.451	-0.516

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3215	1.0808	1.0808	2.6840	2.6840
C2	1.3215		2.0889	2.0889	1.7271	1.7271
H3	1.0808	2.0889		1.8627	2.8539	3.6812
H4	1.0808	2.0889	1.8627		3.6812	2.8539
Cl5	2.6840	1.7271	2.8539	3.6812		2.9024
Cl6	2.6840	1.7271	3.6812	2.8539	2.9024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.831	C1	C2	Cl6	122.831
C2	C1	H3	120.486	C2	C1	H4	120.486
H3	C1	H4	119.028	Cl5	C2	Cl6	114.337

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

using model chemistry: B1B95/6-311G*

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	-0.354
2	C	-0.210
3	H	0.258
4	H	0.258
5	Cl	0.024
6	Cl	0.024

	x	y	z	Total
	0.000	0.000	1.529	1.529
CHELPG
AIM
ESP

<r²>	134.824
(<r²>)^1/2	11.611

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

using model chemistry: B1B95/6-311G*

States and conformations

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