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	hartrees
Energy at 0K	-997.523863
Energy at 298.15K	-997.525945
HF Energy	-997.292959
Nuclear repulsion energy	189.812122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3191	3061	1.81
2	A₁	1662	1594	74.45
3	A₁	1413	1355	0.12
4	A₁	605	580	14.78
5	A₁	299	287	0.02
6	A₂	705	676	0.00
7	B₁	901	864	46.96
8	B₁	475	456	4.47
9	B₂	3291	3158	0.15
10	B₂	1109	1064	90.05
11	B₂	788	756	92.21
12	B₂	377	362	0.47

Atom	y (Å)	z (Å)
C1	0.000	1.728
C2	0.000	0.402
H3	0.932	2.255
H4	-0.932	2.255
Cl5	1.470	-0.508
Cl6	-1.470	-0.508

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3259	1.0709	1.0709	2.6760	2.6760
C2	1.3259		2.0743	2.0743	1.7289	1.7289
H3	1.0709	2.0743		1.8644	2.8151	3.6614
H4	1.0709	2.0743	1.8644		3.6614	2.8151
Cl5	2.6760	1.7289	2.8151	3.6614		2.9397
Cl6	2.6760	1.7289	3.6614	2.8151	2.9397

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.770	C1	C2	Cl6	121.770
C2	C1	H3	119.487	C2	C1	H4	119.487
H3	C1	H4	121.026	Cl5	C2	Cl6	116.461

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

using model chemistry: B2PLYP/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	-0.271
2	C	0.076
3	H	0.158
4	H	0.158
5	Cl	-0.061
6	Cl	-0.061

	x	y	z	Total
	0.000	0.000	1.311	1.311
CHELPG
AIM
ESP

<r²>	135.325
(<r²>)^1/2	11.633

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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