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	hartrees
Energy at 0K	-993.039144
Energy at 298.15K	-993.041230
Nuclear repulsion energy	189.044418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3196	3067	4.12
2	A₁	1679	1611	65.97
3	A₁	1460	1401	0.08
4	A₁	594	570	15.37
5	A₁	301	289	0.04
6	A₂	709	680	0.00
7	B₁	952	913	72.78
8	B₁	481	462	7.88
9	B₂	3292	3158	0.20
10	B₂	1142	1095	97.04
11	B₂	760	729	103.25
12	B₂	392	376	0.11

Atom	y (Å)	z (Å)
C1	0.000	1.750
C2	0.000	0.424
H3	0.932	2.302
H4	-0.932	2.302
Cl5	1.462	-0.519
Cl6	-1.462	-0.519

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3263	1.0835	1.0835	2.6990	2.6990
C2	1.3263		2.0970	2.0970	1.7393	1.7393
H3	1.0835	2.0970		1.8646	2.8701	3.6999
H4	1.0835	2.0970	1.8646		3.6999	2.8701
Cl5	2.6990	1.7393	2.8701	3.6999		2.9235
Cl6	2.6990	1.7393	3.6999	2.8701	2.9235

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.814	C1	C2	Cl6	122.814
C2	C1	H3	120.629	C2	C1	H4	120.629
H3	C1	H4	118.741	Cl5	C2	Cl6	114.372

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

using model chemistry: B3PW91/3-21G*

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	-0.386
2	C	-0.312
3	H	0.258
4	H	0.258
5	Cl	0.092
6	Cl	0.092

	x	y	z	Total
	0.000	0.000	1.614	1.614
CHELPG
AIM
ESP

<r²>	136.112
(<r²>)^1/2	11.667

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

using model chemistry: B3PW91/3-21G*

States and conformations

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