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	hartrees
Energy at 0K	-997.689341
Energy at 298.15K	-997.691401
Nuclear repulsion energy	189.214002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3185	3073	3.15
2	A₁	1682	1623	82.99
3	A₁	1373	1325	0.04
4	A₁	609	588	17.94
5	A₁	301	291	0.03
6	A₂	688	664	0.00
7	B₁	874	844	42.15
8	B₁	473	457	4.87
9	B₂	3297	3182	0.54
10	B₂	1087	1049	109.27
11	B₂	785	758	91.39
12	B₂	376	363	0.24

Atom	y (Å)	z (Å)
C1	0.000	1.754
C2	0.000	0.422
H3	0.942	2.302
H4	-0.942	2.302
Cl5	1.458	-0.519
Cl6	-1.458	-0.519

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3315	1.0900	1.0900	2.7002	2.7002
C2	1.3315		2.1024	2.1024	1.7353	1.7353
H3	1.0900	2.1024		1.8845	2.8675	3.7036
H4	1.0900	2.1024	1.8845		3.7036	2.8675
Cl5	2.7002	1.7353	2.8675	3.7036		2.9154
Cl6	2.7002	1.7353	3.7036	2.8675	2.9154

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.853	C1	C2	Cl6	122.853
C2	C1	H3	120.179	C2	C1	H4	120.179
H3	C1	H4	119.641	Cl5	C2	Cl6	114.293

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

using model chemistry: B3PW91/cc-pVDZ

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	0.097
2	C	-0.225
3	H	0.069
4	H	0.069
5	Cl	-0.005
6	Cl	-0.005

	x	y	z	Total
	0.000	0.000	1.339	1.339
CHELPG
AIM
ESP

<r²>	135.631
(<r²>)^1/2	11.646

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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